3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one

C11H16O — CID 57468283

IUPAC3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one
SMILESCC/C=C\CCC1=CC(=O)CC1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKeyMNDIPYKZPZKECD-ARJAWSKDSA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds4

About 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one

3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one (PubChem CID 57468283) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one
PubChem CID57468283
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one
SMILESCC/C=C\CCC1=CC(=O)CC1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h3-4,9H,2,5-8H2,1H3/b4-3-
InChIKeyMNDIPYKZPZKECD-ARJAWSKDSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one (CID 57468283) is 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one is CC/C=C\CCC1=CC(=O)CC1.
What is the InChIKey of 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one?
The InChIKey is MNDIPYKZPZKECD-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h3-4,9H,2,5-8H2,1H3/b4-3-.
What are the key properties of 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one?
3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hex-3-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 57468283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).