4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide

C14H20N2O3 — CID 62521821

IUPAC4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C14H20N2O3/c1-10(18)11-7-12(15-8-11)13(19)16-14(9-17)5-3-2-4-6-14/h7-8,15,17H,2-6,9H2,1H3,(H,16,19)
InChIKeyQKBIYYNMSNVOMO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds4

About 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide (PubChem CID 62521821) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
PubChem CID62521821
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C14H20N2O3/c1-10(18)11-7-12(15-8-11)13(19)16-14(9-17)5-3-2-4-6-14/h7-8,15,17H,2-6,9H2,1H3,(H,16,19)
InChIKeyQKBIYYNMSNVOMO-UHFFFAOYSA-N
XLogP1.64
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295047
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671811
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide
CID 167980554
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 63888390
N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide (CID 62521821) is 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC2(CO)CCCCC2)c1.
What is the InChIKey of 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QKBIYYNMSNVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(18)11-7-12(15-8-11)13(19)16-14(9-17)5-3-2-4-6-14/h7-8,15,17H,2-6,9H2,1H3,(H,16,19).
What are the key properties of 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62521821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).