2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one

C13H18O2 — CID 86092713

IUPAC2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
SMILESCC(=O)C1(C2C=CCCC2)CCCC1=O
InChIInChI=1S/C13H18O2/c1-10(14)13(9-5-8-12(13)15)11-6-3-2-4-7-11/h3,6,11H,2,4-5,7-9H2,1H3
InChIKeyCDSFNRHJYKIWGK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.67
Rot. Bonds2

About 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one

2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one (PubChem CID 86092713) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
PubChem CID86092713
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
SMILESCC(=O)C1(C2C=CCCC2)CCCC1=O
InChIInChI=1S/C13H18O2/c1-10(14)13(9-5-8-12(13)15)11-6-3-2-4-7-11/h3,6,11H,2,4-5,7-9H2,1H3
InChIKeyCDSFNRHJYKIWGK-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2E)-cyclooct-2-en-1-yl]-4-oxooxane-3-carboxylic acid
CID 114228026
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
CID 67125631
1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
CID 114620507
1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
CID 114620879
(1R,5S)-1-acetylbicyclo[3.1.0]hexan-2-one
CID 159932881
1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
CID 114620874
1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde
CID 130697908
trimethyl (3aS,4Z,6E,15aR)-1,13-dioxo-3,3a,8,10,11,12,14,15-octahydro-2H-cyclopenta[14]annulene-9,9,15a-tricarboxylate
CID 10961046
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336
methyl 3-cyclohex-2-en-1-yl-2-oxo-1-oxaspiro[5.5]undec-4-ene-3-carboxylate
CID 102082424
5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
CID 24834124
1-cyclohexyl-2-oxocyclohexane-1-carboxylic acid
CID 103574854

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
The IUPAC name of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one (CID 86092713) is 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one.
What is the SMILES notation for 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
The canonical SMILES for 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one is CC(=O)C1(C2C=CCCC2)CCCC1=O.
What is the InChIKey of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
The InChIKey is CDSFNRHJYKIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)13(9-5-8-12(13)15)11-6-3-2-4-7-11/h3,6,11H,2,4-5,7-9H2,1H3.
What are the key properties of 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one?
2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one has a molecular weight of 206.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one is sourced from PubChem (CID 86092713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).