4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide

C12H17ClN2O2 — CID 103774058

IUPAC4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC1CCCC1CO
InChIInChI=1S/C12H17ClN2O2/c1-15-6-9(13)5-11(15)12(17)14-10-4-2-3-8(10)7-16/h5-6,8,10,16H,2-4,7H2,1H3,(H,14,17)
InChIKeyUCYFGBGRRUCOMH-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds3

About 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide (PubChem CID 103774058) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
PubChem CID103774058
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC1CCCC1CO
InChIInChI=1S/C12H17ClN2O2/c1-15-6-9(13)5-11(15)12(17)14-10-4-2-3-8(10)7-16/h5-6,8,10,16H,2-4,7H2,1H3,(H,14,17)
InChIKeyUCYFGBGRRUCOMH-UHFFFAOYSA-N
XLogP1.57
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 103774083
2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide
CID 119612147
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119612146
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
CID 42573577
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 63251778
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide (CID 103774058) is 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NC1CCCC1CO.
What is the InChIKey of 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UCYFGBGRRUCOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15-6-9(13)5-11(15)12(17)14-10-4-2-3-8(10)7-16/h5-6,8,10,16H,2-4,7H2,1H3,(H,14,17).
What are the key properties of 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 103774058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).