(2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane

C24H29NO — CID 160674471

IUPAC(2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane
SMILESC.Cc1ccc2c(c1)C(NC1CCCCC1)/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C23H25NO.CH4/c1-16-12-13-19-20(14-16)22(24-18-10-6-3-7-11-18)21(23(19)25)15-17-8-4-2-5-9-17;/h2,4-5,8-9,12-15,18,22,24H,3,6-7,10-11H2,1H3;1H4/b21-15+;
InChIKeyRNIXZHLIHBMIPM-NEMIEIFKSA-N
MW347.50 g/mol
LogP5.87
Rot. Bonds3

About (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane

(2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane (PubChem CID 160674471) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane.

Molecular Properties

Compound Name(2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane
PubChem CID160674471
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane
SMILESC.Cc1ccc2c(c1)C(NC1CCCCC1)/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C23H25NO.CH4/c1-16-12-13-19-20(14-16)22(24-18-10-6-3-7-11-18)21(23(19)25)15-17-8-4-2-5-9-17;/h2,4-5,8-9,12-15,18,22,24H,3,6-7,10-11H2,1H3;1H4/b21-15+;
InChIKeyRNIXZHLIHBMIPM-NEMIEIFKSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane 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 (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane?
The IUPAC name of (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane (CID 160674471) is (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane.
What is the SMILES notation for (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane?
The canonical SMILES for (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane is C.Cc1ccc2c(c1)C(NC1CCCCC1)/C(=C\c1ccccc1)C2=O.
What is the InChIKey of (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane?
The InChIKey is RNIXZHLIHBMIPM-NEMIEIFKSA-N. The full InChI is InChI=1S/C23H25NO.CH4/c1-16-12-13-19-20(14-16)22(24-18-10-6-3-7-11-18)21(23(19)25)15-17-8-4-2-5-9-17;/h2,4-5,8-9,12-15,18,22,24H,3,6-7,10-11H2,1H3;1H4/b21-15+;.
What are the key properties of (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane?
(2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane has a molecular weight of 347.50 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-3-(cyclohexylamino)-5-methyl-3H-inden-1-one;methane is sourced from PubChem (CID 160674471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).