2-cyclohex-3-en-1-ylprop-2-enal

C9H12O — CID 174617943

IUPAC2-cyclohex-3-en-1-ylprop-2-enal
SMILESC=C(C=O)C1CC=CCC1
InChIInChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,7,9H,1,4-6H2
InChIKeySZGQHEWKFNYJIH-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.10
Rot. Bonds2

About 2-cyclohex-3-en-1-ylprop-2-enal

2-cyclohex-3-en-1-ylprop-2-enal (PubChem CID 174617943) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylprop-2-enal.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylprop-2-enal
PubChem CID174617943
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-cyclohex-3-en-1-ylprop-2-enal
SMILESC=C(C=O)C1CC=CCC1
InChIInChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,7,9H,1,4-6H2
InChIKeySZGQHEWKFNYJIH-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.10
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclohex-3-en-1-ylprop-2-enal 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 2-cyclohex-3-en-1-ylprop-2-enal?
The IUPAC name of 2-cyclohex-3-en-1-ylprop-2-enal (CID 174617943) is 2-cyclohex-3-en-1-ylprop-2-enal.
What is the SMILES notation for 2-cyclohex-3-en-1-ylprop-2-enal?
The canonical SMILES for 2-cyclohex-3-en-1-ylprop-2-enal is C=C(C=O)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylprop-2-enal?
The InChIKey is SZGQHEWKFNYJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,7,9H,1,4-6H2.
What are the key properties of 2-cyclohex-3-en-1-ylprop-2-enal?
2-cyclohex-3-en-1-ylprop-2-enal has a molecular weight of 136.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylprop-2-enal is sourced from PubChem (CID 174617943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).