1-cyclohex-3-en-1-ylpent-4-en-2-one

C11H16O — CID 12734511

IUPAC1-cyclohex-3-en-1-ylpent-4-en-2-one
SMILESC=CCC(=O)CC1CC=CCC1
InChIInChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-4,10H,1,5-9H2
InChIKeyKYZXLTAEZKUNGF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclohex-3-en-1-ylpent-4-en-2-one

1-cyclohex-3-en-1-ylpent-4-en-2-one (PubChem CID 12734511) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylpent-4-en-2-one.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylpent-4-en-2-one
PubChem CID12734511
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-cyclohex-3-en-1-ylpent-4-en-2-one
SMILESC=CCC(=O)CC1CC=CCC1
InChIInChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-4,10H,1,5-9H2
InChIKeyKYZXLTAEZKUNGF-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-3-en-1-ylbut-3-en-2-one
CID 130029424
2-(cyclohex-3-en-1-ylmethyl)prop-2-enal
CID 23066946
1-(oxan-4-yl)pent-4-en-2-one
CID 116659446
2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide
CID 115919870
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
buta-1,3-diene;4-(cyclohex-3-en-1-ylmethyl)cyclohexene;4-prop-2-enylcyclohexene
CID 165057381
3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
CID 99823111
2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone
CID 164655819
3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid
CID 139020825
6-ethenyl-4-ethylcyclooctene
CID 123640243

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-ylpent-4-en-2-one?
The IUPAC name of 1-cyclohex-3-en-1-ylpent-4-en-2-one (CID 12734511) is 1-cyclohex-3-en-1-ylpent-4-en-2-one.
What is the SMILES notation for 1-cyclohex-3-en-1-ylpent-4-en-2-one?
The canonical SMILES for 1-cyclohex-3-en-1-ylpent-4-en-2-one is C=CCC(=O)CC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylpent-4-en-2-one?
The InChIKey is KYZXLTAEZKUNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-4,10H,1,5-9H2.
What are the key properties of 1-cyclohex-3-en-1-ylpent-4-en-2-one?
1-cyclohex-3-en-1-ylpent-4-en-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylpent-4-en-2-one is sourced from PubChem (CID 12734511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).