Name: Name:1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dihydro-5-oxo-1-phenyl-
Brand: Angene
SKU: AG000M32
Rating: 90 (10 reviews)

1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dihydro-5-oxo-1-phenyl-

CAS No.:

124476-77-3

Catalog Number:

AG000M32

Molecular Formula:

C11H9N3O

Molecular Weight:

199.2087

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Product Description

Catalog Number:

AG000M32

Chemical Name:

1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dihydro-5-oxo-1-phenyl-

CAS Number:

124476-77-3

Molecular Formula:

C11H9N3O

Molecular Weight:

199.2087

MDL Number:

MFCD00496414

IUPAC Name:

5-amino-2-oxo-1-phenyl-3H-pyrrole-4-carbonitrile

InChI:

InChI=1S/C11H9N3O/c12-7-8-6-10(15)14(11(8)13)9-4-2-1-3-5-9/h1-5H,6,13H2

InChI Key:

XOIOEPQEOGMHSP-UHFFFAOYSA-N

SMILES:

N#CC1=C(N)N(C(=O)C1)c1ccccc1

Properties

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.213g/mol

Monoisotopic Mass:

199.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501