N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H22N2O2 — CID 103873957

IUPACN-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC1CCCC1CO
InChIInChI=1S/C14H22N2O2/c1-10(2)16-8-4-7-13(16)14(18)15-12-6-3-5-11(12)9-17/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3,(H,15,18)
InChIKeyMKJIVMYLKRWAKL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 103873957) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID103873957
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC1CCCC1CO
InChIInChI=1S/C14H22N2O2/c1-10(2)16-8-4-7-13(16)14(18)15-12-6-3-5-11(12)9-17/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3,(H,15,18)
InChIKeyMKJIVMYLKRWAKL-UHFFFAOYSA-N
XLogP1.96
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
CID 114179190
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
CID 103774058
1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760756
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114696521
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 103873957) is N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is MKJIVMYLKRWAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-8-4-7-13(16)14(18)15-12-6-3-5-11(12)9-17/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103873957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).