3-cyclohexyl-2-methylcyclopent-2-en-1-one

C12H18O — CID 101018406

IUPAC3-cyclohexyl-2-methylcyclopent-2-en-1-one
SMILESCC1=C(C2CCCCC2)CCC1=O
InChIInChI=1S/C12H18O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyLNJYOPGBAWWVBU-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.25
Rot. Bonds1

About 3-cyclohexyl-2-methylcyclopent-2-en-1-one

3-cyclohexyl-2-methylcyclopent-2-en-1-one (PubChem CID 101018406) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-cyclohexyl-2-methylcyclopent-2-en-1-one
PubChem CID101018406
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-cyclohexyl-2-methylcyclopent-2-en-1-one
SMILESCC1=C(C2CCCCC2)CCC1=O
InChIInChI=1S/C12H18O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyLNJYOPGBAWWVBU-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(hydroxymethyl)cyclobutyl]-2-methylcyclopent-2-en-1-one
CID 24971611
1,3,5-tricyclohexyl-2-methylcyclohexa-1,3-diene
CID 123732089
2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 24747264
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
CID 130792829
3-methylcyclododecane-1,2-dione
CID 12995105
3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one
CID 66878851
2,3,4-trimethylcyclohept-2-en-1-one
CID 154209832
3-cyclohexyl-2-(3-nitrophenyl)cyclopent-2-en-1-one
CID 66879565
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
2-cyclohexyl-5-methylpyrrol-3-one
CID 141202518
(2-oxo-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl) acetate
CID 102240957

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-cyclohexyl-2-methylcyclopent-2-en-1-one (CID 101018406) is 3-cyclohexyl-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-cyclohexyl-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-cyclohexyl-2-methylcyclopent-2-en-1-one is CC1=C(C2CCCCC2)CCC1=O.
What is the InChIKey of 3-cyclohexyl-2-methylcyclopent-2-en-1-one?
The InChIKey is LNJYOPGBAWWVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-2-methylcyclopent-2-en-1-one?
3-cyclohexyl-2-methylcyclopent-2-en-1-one has a molecular weight of 178.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 101018406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).