3-methyl-3-prop-2-enylcyclopentan-1-one

C9H14O — CID 10034694

IUPAC3-methyl-3-prop-2-enylcyclopentan-1-one
SMILESC=CCC1(C)CCC(=O)C1
InChIInChI=1S/C9H14O/c1-3-5-9(2)6-4-8(10)7-9/h3H,1,4-7H2,2H3
InChIKeyDBBBXDIKKDMCBZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds2

About 3-methyl-3-prop-2-enylcyclopentan-1-one

3-methyl-3-prop-2-enylcyclopentan-1-one (PubChem CID 10034694) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-prop-2-enylcyclopentan-1-one
PubChem CID10034694
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-methyl-3-prop-2-enylcyclopentan-1-one
SMILESC=CCC1(C)CCC(=O)C1
InChIInChI=1S/C9H14O/c1-3-5-9(2)6-4-8(10)7-9/h3H,1,4-7H2,2H3
InChIKeyDBBBXDIKKDMCBZ-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
(4aS,8aS)-8a-methyl-4a-prop-2-enyl-2,3,4,5,7,8-hexahydronaphthalene-1,6-dione
CID 135020573
3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one
CID 116538521
3-(2-ethylsulfonylethyl)-3-methylcyclopentan-1-one
CID 106732194
3-methyl-3-(3-methylsulfanylpropyl)cyclopentan-1-one
CID 116538551
3-(cyclopenten-1-ylmethyl)-3-methylcyclopentan-1-one
CID 130987784
3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 25260242
3-methyl-3-prop-2-enylcyclohexane-1,2-dione
CID 13156859
(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11007903
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
CID 116538582
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-one
CID 116538466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-prop-2-enylcyclopentan-1-one?
The IUPAC name of 3-methyl-3-prop-2-enylcyclopentan-1-one (CID 10034694) is 3-methyl-3-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-prop-2-enylcyclopentan-1-one?
The canonical SMILES for 3-methyl-3-prop-2-enylcyclopentan-1-one is C=CCC1(C)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-prop-2-enylcyclopentan-1-one?
The InChIKey is DBBBXDIKKDMCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-9(2)6-4-8(10)7-9/h3H,1,4-7H2,2H3.
What are the key properties of 3-methyl-3-prop-2-enylcyclopentan-1-one?
3-methyl-3-prop-2-enylcyclopentan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 10034694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).