3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal

C11H16O — CID 59748167

IUPAC3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal
SMILESCC1C2C=CC(C2)C1CCC=O
InChIInChI=1S/C11H16O/c1-8-9-4-5-10(7-9)11(8)3-2-6-12/h4-6,8-11H,2-3,7H2,1H3
InChIKeyUSZFWRMPFCQDGS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.42
Rot. Bonds3

About 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal

3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal (PubChem CID 59748167) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal.

Molecular Properties

Compound Name3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal
PubChem CID59748167
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal
SMILESCC1C2C=CC(C2)C1CCC=O
InChIInChI=1S/C11H16O/c1-8-9-4-5-10(7-9)11(8)3-2-6-12/h4-6,8-11H,2-3,7H2,1H3
InChIKeyUSZFWRMPFCQDGS-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal?
The IUPAC name of 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal (CID 59748167) is 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal.
What is the SMILES notation for 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal?
The canonical SMILES for 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal is CC1C2C=CC(C2)C1CCC=O.
What is the InChIKey of 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal?
The InChIKey is USZFWRMPFCQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-9-4-5-10(7-9)11(8)3-2-6-12/h4-6,8-11H,2-3,7H2,1H3.
What are the key properties of 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal?
3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal has a molecular weight of 164.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal is sourced from PubChem (CID 59748167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).