4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H24N2O2 — CID 3242976

IUPAC4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCC2=CCCCC2)c1C
InChIInChI=1S/C17H24N2O2/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-10-9-14-7-5-4-6-8-14/h7,19H,4-6,8-10H2,1-3H3,(H,18,21)
InChIKeyHDCLEUCXPXGNMR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.45
Rot. Bonds5

About 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 3242976) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID3242976
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCC2=CCCCC2)c1C
InChIInChI=1S/C17H24N2O2/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-10-9-14-7-5-4-6-8-14/h7,19H,4-6,8-10H2,1-3H3,(H,18,21)
InChIKeyHDCLEUCXPXGNMR-UHFFFAOYSA-N
XLogP3.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
Pyrrole, 2,4-diacetyl-3,5-dimethyl-
CID 200285
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 156612861
N,3-dimethyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxamide
CID 153617028
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
4-acetyl-3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 866986
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866992
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 3242976) is 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCC2=CCCCC2)c1C.
What is the InChIKey of 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is HDCLEUCXPXGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-10-9-14-7-5-4-6-8-14/h7,19H,4-6,8-10H2,1-3H3,(H,18,21).
What are the key properties of 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3242976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).