1-(cyclopenten-1-yl)hex-5-en-1-one

C11H16O — CID 103847180

IUPAC1-(cyclopenten-1-yl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1=CCCC1
InChIInChI=1S/C11H16O/c1-2-3-4-9-11(12)10-7-5-6-8-10/h2,7H,1,3-6,8-9H2
InChIKeyBEKAVXMPPSUPON-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds5

About 1-(cyclopenten-1-yl)hex-5-en-1-one

1-(cyclopenten-1-yl)hex-5-en-1-one (PubChem CID 103847180) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)hex-5-en-1-one
PubChem CID103847180
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(cyclopenten-1-yl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1=CCCC1
InChIInChI=1S/C11H16O/c1-2-3-4-9-11(12)10-7-5-6-8-10/h2,7H,1,3-6,8-9H2
InChIKeyBEKAVXMPPSUPON-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059
1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
CID 103448187
1-(cyclopenten-1-yl)tridecan-1-one
CID 103448100
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
1-(cyclohexen-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655515
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-en-1-one
CID 114974846
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
1-(cyclohepten-1-yl)-2-(prop-2-enylamino)ethanone
CID 106655516
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
CID 62078476
1-(cyclopenten-1-yl)-4,4-dimethylhexan-1-one
CID 129257201
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)hex-5-en-1-one?
The IUPAC name of 1-(cyclopenten-1-yl)hex-5-en-1-one (CID 103847180) is 1-(cyclopenten-1-yl)hex-5-en-1-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)hex-5-en-1-one?
The canonical SMILES for 1-(cyclopenten-1-yl)hex-5-en-1-one is C=CCCCC(=O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)hex-5-en-1-one?
The InChIKey is BEKAVXMPPSUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-9-11(12)10-7-5-6-8-10/h2,7H,1,3-6,8-9H2.
What are the key properties of 1-(cyclopenten-1-yl)hex-5-en-1-one?
1-(cyclopenten-1-yl)hex-5-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)hex-5-en-1-one is sourced from PubChem (CID 103847180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).