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

C11H16O — CID 22395801

IUPAC3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
SMILESCCCC/C=C/C1=CC(=O)CC1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+
InChIKeyMIZDCMSPGZFPNU-AATRIKPKSA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds4

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

3-[(E)-hex-1-enyl]cyclopent-2-en-1-one (PubChem CID 22395801) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
PubChem CID22395801
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
SMILESCCCC/C=C/C1=CC(=O)CC1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+
InChIKeyMIZDCMSPGZFPNU-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
CID 10329344
1-oct-1-enylcyclopentene
CID 134887291
1-[(E)-hept-1-enyl]cyclohexene
CID 173298368
3-(decylamino)cyclopent-2-en-1-one
CID 113453186
2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one
CID 57270538
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
2-dodec-1-enylcyclohexa-2,5-diene-1,4-dione
CID 90841664
1-[2-[(E)-hex-1-enyl]cyclohexen-1-yl]ethanone
CID 24975299
4-[(E)-hex-1-enyl]-6-methylpyran-2-one
CID 11389915
dec-5-ene;trihydrobromide
CID 175802238
3-[(1E)-hepta-1,6-dienyl]-5,5-dimethylcyclopent-2-en-1-one
CID 14662904
6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 134894496

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one (CID 22395801) is 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one is CCCC/C=C/C1=CC(=O)CC1.
What is the InChIKey of 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one?
The InChIKey is MIZDCMSPGZFPNU-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-6-10-7-8-11(12)9-10/h5-6,9H,2-4,7-8H2,1H3/b6-5+.
What are the key properties of 3-[(E)-hex-1-enyl]cyclopent-2-en-1-one?
3-[(E)-hex-1-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-[(E)-hex-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 22395801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).