8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one

C15H22O — CID 71078570

IUPAC8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one
SMILESCC(C)=CCCC1CCC2C=CC(=O)C1C2
InChIInChI=1S/C15H22O/c1-11(2)4-3-5-13-8-6-12-7-9-15(16)14(13)10-12/h4,7,9,12-14H,3,5-6,8,10H2,1-2H3
InChIKeyCTSCVQIEXAQSRO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds3

About 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one

8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one (PubChem CID 71078570) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one.

Molecular Properties

Compound Name8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one
PubChem CID71078570
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one
SMILESCC(C)=CCCC1CCC2C=CC(=O)C1C2
InChIInChI=1S/C15H22O/c1-11(2)4-3-5-13-8-6-12-7-9-15(16)14(13)10-12/h4,7,9,12-14H,3,5-6,8,10H2,1-2H3
InChIKeyCTSCVQIEXAQSRO-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one?
The IUPAC name of 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one (CID 71078570) is 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one.
What is the SMILES notation for 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one?
The canonical SMILES for 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one is CC(C)=CCCC1CCC2C=CC(=O)C1C2.
What is the InChIKey of 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one?
The InChIKey is CTSCVQIEXAQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)4-3-5-13-8-6-12-7-9-15(16)14(13)10-12/h4,7,9,12-14H,3,5-6,8,10H2,1-2H3.
What are the key properties of 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one?
8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one has a molecular weight of 218.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-en-2-one is sourced from PubChem (CID 71078570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).