3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal

C11H15NO2 — CID 91508156

IUPAC3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal
SMILESO=CCC=C1CC=C(NCC=O)CC1
InChIInChI=1S/C11H15NO2/c13-8-1-2-10-3-5-11(6-4-10)12-7-9-14/h2,5,8-9,12H,1,3-4,6-7H2
InChIKeyLSDYPWWXIONBPZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.36
Rot. Bonds5

About 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal

3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal (PubChem CID 91508156) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal.

Molecular Properties

Compound Name3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal
PubChem CID91508156
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal
SMILESO=CCC=C1CC=C(NCC=O)CC1
InChIInChI=1S/C11H15NO2/c13-8-1-2-10-3-5-11(6-4-10)12-7-9-14/h2,5,8-9,12H,1,3-4,6-7H2
InChIKeyLSDYPWWXIONBPZ-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]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-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal?
The IUPAC name of 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal (CID 91508156) is 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal.
What is the SMILES notation for 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal?
The canonical SMILES for 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal is O=CCC=C1CC=C(NCC=O)CC1.
What is the InChIKey of 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal?
The InChIKey is LSDYPWWXIONBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-8-1-2-10-3-5-11(6-4-10)12-7-9-14/h2,5,8-9,12H,1,3-4,6-7H2.
What are the key properties of 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal?
3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal has a molecular weight of 193.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxoethylamino)cyclohex-3-en-1-ylidene]propanal is sourced from PubChem (CID 91508156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).