2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one

C9H12N2O2 — CID 135727308

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1C1=NCCN1
InChIInChI=1S/C9H12N2O2/c12-6-2-1-3-7(13)8(6)9-10-4-5-11-9/h12H,1-5H2,(H,10,11)
InChIKeyAAHFHONONZYKLA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.55
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one

2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one (PubChem CID 135727308) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one
PubChem CID135727308
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one
SMILESO=C1CCCC(O)=C1C1=NCCN1
InChIInChI=1S/C9H12N2O2/c12-6-2-1-3-7(13)8(6)9-10-4-5-11-9/h12H,1-5H2,(H,10,11)
InChIKeyAAHFHONONZYKLA-UHFFFAOYSA-N
XLogP0.55
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-5,5-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)cyclohex-2-en-1-one
CID 135413005
2-Imidazolidin-2-ylidene-5,5-dimethylcyclohexane-1,3-dione
CID 135499053
5-(1-Methylethyl)-2-(2-imidazolidinylidene)-1,3-cyclohexanedione
CID 135759137
5-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one
CID 135759145
2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 135759150
2-Imidazolidin-2-ylidenecyclopentane-1,3-dione
CID 135855074
3-Hydroxy-5-propan-2-yl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)cyclohex-2-en-1-one
CID 136448982
2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 135556833
2-(octahydro-2H-benzimidazol-2-ylidene)cyclohexane-1,3-dione
CID 135616430
2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 135616431
2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135737869
2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 135896490

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one (CID 135727308) is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one is O=C1CCCC(O)=C1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one?
The InChIKey is AAHFHONONZYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-6-2-1-3-7(13)8(6)9-10-4-5-11-9/h12H,1-5H2,(H,10,11).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one?
2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one has a molecular weight of 180.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 135727308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).