Name: Name:2-Amino-1-(furan-2-ylmethyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
Brand: Angene
SKU: AG00865T
Rating: 90 (10 reviews)

2-Amino-1-(furan-2-ylmethyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS No.:

103026-02-4

Catalog Number:

AG00865T

Molecular Formula:

C12H13N3O

Molecular Weight:

215.2511

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Product Description

Catalog Number:

AG00865T

Chemical Name:

2-Amino-1-(furan-2-ylmethyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS Number:

103026-02-4

Molecular Formula:

C12H13N3O

Molecular Weight:

215.2511

MDL Number:

MFCD06655398

IUPAC Name:

2-amino-1-(furan-2-ylmethyl)-4,5-dimethylpyrrole-3-carbonitrile

InChI:

InChI=1S/C12H13N3O/c1-8-9(2)15(12(14)11(8)6-13)7-10-4-3-5-16-10/h3-5H,7,14H2,1-2H3

InChI Key:

SVPIRBHUVULZRF-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)n(c(c1C)C)Cc1ccco1

Properties

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.256g/mol

Monoisotopic Mass:

215.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties