2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one

C11H14O — CID 56637323

IUPAC2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one
SMILESCC1=CCC(=O)C1C1C=CCC1
InChIInChI=1S/C11H14O/c1-8-6-7-10(12)11(8)9-4-2-3-5-9/h2,4,6,9,11H,3,5,7H2,1H3
InChIKeyBFZHCPSPUQTTDD-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.49
Rot. Bonds1

About 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one

2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one (PubChem CID 56637323) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one
PubChem CID56637323
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one
SMILESCC1=CCC(=O)C1C1C=CCC1
InChIInChI=1S/C11H14O/c1-8-6-7-10(12)11(8)9-4-2-3-5-9/h2,4,6,9,11H,3,5,7H2,1H3
InChIKeyBFZHCPSPUQTTDD-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.49
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

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(4aS,7R,10aR)-7-methyl-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[8]annulen-10-one
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(3R,4S)-4-[(1S)-cyclopent-2-en-1-yl]-3-methylcyclopentene
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CID 92524029
2-cyclohex-2-en-1-ylcycloheptan-1-one
CID 114620350
CID 175974408
CID 175974408
7-azabicyclo[4.2.2]deca-4,9-dien-8-one
CID 55286163
1-[(2E,5Z,9Z)-2,7,8-trimethylcyclododeca-2,5,9-trien-1-yl]ethanone
CID 118541090
1-[(5E,9E)-2,7,8-trimethylcyclododeca-2,5,9-trien-1-yl]ethanone
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CID 13307910

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one?
The IUPAC name of 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one (CID 56637323) is 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one?
The canonical SMILES for 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one is CC1=CCC(=O)C1C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one?
The InChIKey is BFZHCPSPUQTTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8-6-7-10(12)11(8)9-4-2-3-5-9/h2,4,6,9,11H,3,5,7H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one?
2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one has a molecular weight of 162.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one is sourced from PubChem (CID 56637323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).