Name: Name:1-(4-chloro-1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepane
Brand: Angene
SKU: AG01A9FB
Rating: 90 (10 reviews)

1-(4-chloro-1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepane

CAS No.:

1038285-66-3

Catalog Number:

AG01A9FB

Molecular Formula:

C11H16ClN3O

Molecular Weight:

241.7172

Catalog Number:

AG01A9FB

Chemical Name:

1-(4-chloro-1-methyl-1H-pyrrole-2-carbonyl)-1,4-diazepane

CAS Number:

1038285-66-3

Molecular Formula:

C11H16ClN3O

Molecular Weight:

241.7172

MDL Number:

MFCD11167910

IUPAC Name:

(4-chloro-1-methylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone

InChI:

InChI=1S/C11H16ClN3O/c1-14-8-9(12)7-10(14)11(16)15-5-2-3-13-4-6-15/h7-8,13H,2-6H2,1H3

InChI Key:

JETHPNKFGXZNJF-UHFFFAOYSA-N

SMILES:

Clc1cc(n(c1)C)C(=O)N1CCNCCC1

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.719g/mol

Monoisotopic Mass:

241.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8