1-prop-1-enylbicyclo[3.2.1]octan-2-one

C11H16O — CID 53440392

IUPAC1-prop-1-enylbicyclo[3.2.1]octan-2-one
SMILESCC=CC12CCC(CCC1=O)C2
InChIInChI=1S/C11H16O/c1-2-6-11-7-5-9(8-11)3-4-10(11)12/h2,6,9H,3-5,7-8H2,1H3
InChIKeyNDFLYTFPLZFDSI-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds1

About 1-prop-1-enylbicyclo[3.2.1]octan-2-one

1-prop-1-enylbicyclo[3.2.1]octan-2-one (PubChem CID 53440392) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-prop-1-enylbicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name1-prop-1-enylbicyclo[3.2.1]octan-2-one
PubChem CID53440392
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-prop-1-enylbicyclo[3.2.1]octan-2-one
SMILESCC=CC12CCC(CCC1=O)C2
InChIInChI=1S/C11H16O/c1-2-6-11-7-5-9(8-11)3-4-10(11)12/h2,6,9H,3-5,7-8H2,1H3
InChIKeyNDFLYTFPLZFDSI-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-1-enylbicyclo[3.2.1]octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-prop-1-enyl]bicyclo[3.2.1]octan-2-one
CID 102118242
1-fluorobicyclo[3.1.1]heptan-2-one
CID 13265793
1-ethoxybicyclo[3.2.2]nonan-2-one
CID 10773781
(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one
CID 54046597
(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one
CID 10678692
1-but-2-en-2-ylbicyclo[2.2.1]heptane
CID 141329394
(1R,4S,6S)-6-hydroxy-1-methylbicyclo[2.2.2]octan-2-one
CID 11789422
1-prop-1-enylbicyclo[1.1.0]butane
CID 91031685
3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
CID 140561006
(4R,5S,9S,12S,13R)-9,13-dimethylpentacyclo[14.1.1.01,13.04,12.05,9]octadecan-8-one
CID 132523878
(1S)-2,2,7,7-tetramethyltricyclo[8.2.1.01,6]tridecan-4-one
CID 143747798
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
CID 5384425

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylbicyclo[3.2.1]octan-2-one?
The IUPAC name of 1-prop-1-enylbicyclo[3.2.1]octan-2-one (CID 53440392) is 1-prop-1-enylbicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 1-prop-1-enylbicyclo[3.2.1]octan-2-one?
The canonical SMILES for 1-prop-1-enylbicyclo[3.2.1]octan-2-one is CC=CC12CCC(CCC1=O)C2.
What is the InChIKey of 1-prop-1-enylbicyclo[3.2.1]octan-2-one?
The InChIKey is NDFLYTFPLZFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-6-11-7-5-9(8-11)3-4-10(11)12/h2,6,9H,3-5,7-8H2,1H3.
What are the key properties of 1-prop-1-enylbicyclo[3.2.1]octan-2-one?
1-prop-1-enylbicyclo[3.2.1]octan-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylbicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 53440392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).