4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide

C13H18N2O3 — CID 43392898

IUPAC4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C13H18N2O3/c1-8(16)9-6-12(14-7-9)13(18)15-10-2-4-11(17)5-3-10/h6-7,10-11,14,17H,2-5H2,1H3,(H,15,18)
InChIKeyFXKXXNHCFMHRFC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.25
Rot. Bonds3

About 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide (PubChem CID 43392898) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
PubChem CID43392898
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C13H18N2O3/c1-8(16)9-6-12(14-7-9)13(18)15-10-2-4-11(17)5-3-10/h6-7,10-11,14,17H,2-5H2,1H3,(H,15,18)
InChIKeyFXKXXNHCFMHRFC-UHFFFAOYSA-N
XLogP1.25
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(1S,3R)-3-methylsulfanylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 97317265
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677
4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
4-acetyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrrole-2-carboxamide
CID 24616454
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
N-cyclopropyl-4-[(E)-3-methoxy-2-(1-phenylethenyl)but-2-enoyl]-1H-pyrrole-2-carboxamide
CID 143434241
4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103933422
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 9083903
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide (CID 43392898) is 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FXKXXNHCFMHRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(16)9-6-12(14-7-9)13(18)15-10-2-4-11(17)5-3-10/h6-7,10-11,14,17H,2-5H2,1H3,(H,15,18).
What are the key properties of 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43392898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).