3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one

C11H14N2O — CID 130519079

IUPAC3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one
SMILESCc1ncc(C2=CC(=O)CCC2)n1C
InChIInChI=1S/C11H14N2O/c1-8-12-7-11(13(8)2)9-4-3-5-10(14)6-9/h6-7H,3-5H2,1-2H3
InChIKeyVFSXDDJDKUMCEN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.86
Rot. Bonds1

About 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one

3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one (PubChem CID 130519079) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one
PubChem CID130519079
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one
SMILESCc1ncc(C2=CC(=O)CCC2)n1C
InChIInChI=1S/C11H14N2O/c1-8-12-7-11(13(8)2)9-4-3-5-10(14)6-9/h6-7H,3-5H2,1-2H3
InChIKeyVFSXDDJDKUMCEN-UHFFFAOYSA-N
XLogP1.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-5-[(E)-oct-4-en-4-yl]imidazole
CID 102297528
1-[1-methyl-5-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazol-2-yl]ethanone
CID 155690571
4-(1H-imidazol-5-yl)cyclohex-3-en-1-one
CID 11182785
N,N-dimethyl-4-(4-oxocyclohexen-1-yl)imidazole-1-sulfonamide
CID 59900691
(Z)-4-amino-3-(1-methylimidazol-4-yl)pent-3-en-2-one
CID 60046596
4,6,13-Triazapentacyclo[11.6.1.02,6.07,12.016,20]icosa-1(20),2,4,7(12),8,14,16-heptaen-10-one
CID 67923144
1-[4-(4-Bromocyclohexa-1,3-dien-1-yl)-1-methylimidazol-2-yl]ethanone
CID 71194126
2-(3-Methylimidazol-4-yl)cyclohex-2-en-1-one
CID 89963299
4-(1-Methylimidazol-4-yl)cyclopenta-1,4-diene-1-carboxamide
CID 118189487
N,N-dimethyl-4-(3-oxocyclopenten-1-yl)imidazole-1-sulfonamide
CID 121317671
1-cyclohexyl-3-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]propan-2-one
CID 121322089
3-(1-Methylimidazol-4-yl)cyclopent-2-en-1-one
CID 130509387

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one (CID 130519079) is 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one is Cc1ncc(C2=CC(=O)CCC2)n1C.
What is the InChIKey of 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one?
The InChIKey is VFSXDDJDKUMCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-12-7-11(13(8)2)9-4-3-5-10(14)6-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one?
3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylimidazol-4-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 130519079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).