2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one

C14H22N2O — CID 3778383

IUPAC2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
SMILESCN(C)C=CC=C1CCCC(=CN(C)C)C1=O
InChIInChI=1S/C14H22N2O/c1-15(2)10-6-9-12-7-5-8-13(14(12)17)11-16(3)4/h6,9-11H,5,7-8H2,1-4H3
InChIKeyFECYBPXTUOJJSM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds3

About 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one

2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one (PubChem CID 3778383) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
PubChem CID3778383
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
SMILESCN(C)C=CC=C1CCCC(=CN(C)C)C1=O
InChIInChI=1S/C14H22N2O/c1-15(2)10-6-9-12-7-5-8-13(14(12)17)11-16(3)4/h6,9-11H,5,7-8H2,1-4H3
InChIKeyFECYBPXTUOJJSM-UHFFFAOYSA-N
XLogP2.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one 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-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
The IUPAC name of 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one (CID 3778383) is 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one.
What is the SMILES notation for 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
The canonical SMILES for 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one is CN(C)C=CC=C1CCCC(=CN(C)C)C1=O.
What is the InChIKey of 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
The InChIKey is FECYBPXTUOJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)10-6-9-12-7-5-8-13(14(12)17)11-16(3)4/h6,9-11H,5,7-8H2,1-4H3.
What are the key properties of 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)-6-[3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one is sourced from PubChem (CID 3778383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).