2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one

C14H20O — CID 123650114

IUPAC2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one
SMILESC=C(C1=C(C)CCCC1=O)C1CCCC1
InChIInChI=1S/C14H20O/c1-10-6-5-9-13(15)14(10)11(2)12-7-3-4-8-12/h12H,2-9H2,1H3
InChIKeyWRVCXKUZDCWDMC-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.80
Rot. Bonds2

About 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one

2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one (PubChem CID 123650114) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one
PubChem CID123650114
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one
SMILESC=C(C1=C(C)CCCC1=O)C1CCCC1
InChIInChI=1S/C14H20O/c1-10-6-5-9-13(15)14(10)11(2)12-7-3-4-8-12/h12H,2-9H2,1H3
InChIKeyWRVCXKUZDCWDMC-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-methyl-6-oxocyclohexene-1-carboxylate
CID 10726108
ethane;3-methyl-2-[1-(4-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethenyl]cyclohex-2-en-1-one
CID 142088928
2-chloro-3-methylcyclohex-2-en-1-one
CID 11137294
[2-[(Z)-1-(cyclopropanecarbonyloxy)but-1-enyl]-3-oxocyclohexen-1-yl] cyclopropanecarboxylate
CID 101237590
2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one
CID 141361227
2-acetyl-3-methylcyclopent-2-en-1-one
CID 130027608
2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one
CID 71400842
3-(1-cyclopentylethenyl)cyclohexan-1-one
CID 71345837
(2-acetyl-3-oxocyclohexen-1-yl) acetate
CID 101237580
2-iodo-3-methylcyclohept-2-en-1-one
CID 11770818
3-(1-ethoxyethenyl)cyclohexan-1-one
CID 130027305
3-methyl-2-prop-1-enylcyclohex-2-en-1-one
CID 123373208

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one (CID 123650114) is 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one is C=C(C1=C(C)CCCC1=O)C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one?
The InChIKey is WRVCXKUZDCWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10-6-5-9-13(15)14(10)11(2)12-7-3-4-8-12/h12H,2-9H2,1H3.
What are the key properties of 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one?
2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one has a molecular weight of 204.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylethenyl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 123650114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).