3-but-3-enylcyclopentan-1-one

C9H14O — CID 13045271

IUPAC3-but-3-enylcyclopentan-1-one
SMILESC=CCCC1CCC(=O)C1
InChIInChI=1S/C9H14O/c1-2-3-4-8-5-6-9(10)7-8/h2,8H,1,3-7H2
InChIKeySOVGSPFMASGWMT-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds3

About 3-but-3-enylcyclopentan-1-one

3-but-3-enylcyclopentan-1-one (PubChem CID 13045271) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-but-3-enylcyclopentan-1-one.

Molecular Properties

Compound Name3-but-3-enylcyclopentan-1-one
PubChem CID13045271
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-but-3-enylcyclopentan-1-one
SMILESC=CCCC1CCC(=O)C1
InChIInChI=1S/C9H14O/c1-2-3-4-8-5-6-9(10)7-8/h2,8H,1,3-7H2
InChIKeySOVGSPFMASGWMT-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
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

4-but-3-enylcyclohexan-1-one
CID 130029411
(3S)-3-hex-5-enylcyclopentan-1-one
CID 11159527
3-hept-6-enylcyclohexan-1-one
CID 107010436
4-but-3-enyl-3-methylcyclohexan-1-one
CID 12571440
(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
CID 71387530
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
2-[(1S)-3-oxocyclopentyl]acetaldehyde
CID 10534670
3-(3-methylbutyl)cyclopentan-1-one
CID 64521347
3-pentylcyclopentan-1-one
CID 11040911
3-prop-2-enylcycloheptan-1-one
CID 11378603
3-(2-methylsulfonylethyl)cyclopentan-1-one
CID 64521718
bis(3-ethylcyclopentan-1-one);methane
CID 159745334

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enylcyclopentan-1-one?
The IUPAC name of 3-but-3-enylcyclopentan-1-one (CID 13045271) is 3-but-3-enylcyclopentan-1-one.
What is the SMILES notation for 3-but-3-enylcyclopentan-1-one?
The canonical SMILES for 3-but-3-enylcyclopentan-1-one is C=CCCC1CCC(=O)C1.
What is the InChIKey of 3-but-3-enylcyclopentan-1-one?
The InChIKey is SOVGSPFMASGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-8-5-6-9(10)7-8/h2,8H,1,3-7H2.
What are the key properties of 3-but-3-enylcyclopentan-1-one?
3-but-3-enylcyclopentan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enylcyclopentan-1-one is sourced from PubChem (CID 13045271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).