3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal

C13H20O2 — CID 162826072

IUPAC3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal
SMILESC=C1C2CCC(C2OC)C1(C)CCC=O
InChIInChI=1S/C13H20O2/c1-9-10-5-6-11(12(10)15-3)13(9,2)7-4-8-14/h8,10-12H,1,4-7H2,2-3H3
InChIKeyJWXGUOJEQFYZNG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.58
Rot. Bonds4

About 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal

3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal (PubChem CID 162826072) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal.

Molecular Properties

Compound Name3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal
PubChem CID162826072
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal
SMILESC=C1C2CCC(C2OC)C1(C)CCC=O
InChIInChI=1S/C13H20O2/c1-9-10-5-6-11(12(10)15-3)13(9,2)7-4-8-14/h8,10-12H,1,4-7H2,2-3H3
InChIKeyJWXGUOJEQFYZNG-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal 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

2-[2-(3,3-Dimethyloxiran-2-yl)ethyl]-3-methylidenebicyclo[2.2.1]heptane-2-carbaldehyde
CID 88844656
7-Methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 162826037
(1S,4R,7S)-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
CID 162826038
3-[(1S,2S,4R,7R)-7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]propanal
CID 162826073
3-(7-Hydroxy-7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal
CID 162830511
3-[(1S,2S,4R,7R)-7-hydroxy-7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]propanal
CID 162830512
7-Hydroxy-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 162836429
(1S,4R,7R)-7-hydroxy-7-methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 162836430
9-Methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 163018083
(1R,3S,7R,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 163018084
(1R,3S,7S,8R,9R)-9-methoxy-3-methyl-2-methylidenetricyclo[5.2.1.03,8]decane-8-carbaldehyde
CID 163018085
7-Methoxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
CID 163043513

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal?
The IUPAC name of 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal (CID 162826072) is 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal.
What is the SMILES notation for 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal?
The canonical SMILES for 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal is C=C1C2CCC(C2OC)C1(C)CCC=O.
What is the InChIKey of 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal?
The InChIKey is JWXGUOJEQFYZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-10-5-6-11(12(10)15-3)13(9,2)7-4-8-14/h8,10-12H,1,4-7H2,2-3H3.
What are the key properties of 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal?
3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal has a molecular weight of 208.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal is sourced from PubChem (CID 162826072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).