3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one

C23H25NO — CID 46221367

IUPAC3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one
SMILESCc1cc(C)cc(C2=C(C3=CCCCC3)N3C=CC=CC3(C)C2=O)c1
InChIInChI=1S/C23H25NO/c1-16-13-17(2)15-19(14-16)20-21(18-9-5-4-6-10-18)24-12-8-7-11-23(24,3)22(20)25/h7-9,11-15H,4-6,10H2,1-3H3
InChIKeyWOIIHHWRDHFRMF-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.24
Rot. Bonds2

About 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one

3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one (PubChem CID 46221367) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one
PubChem CID46221367
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one
SMILESCc1cc(C)cc(C2=C(C3=CCCCC3)N3C=CC=CC3(C)C2=O)c1
InChIInChI=1S/C23H25NO/c1-16-13-17(2)15-19(14-16)20-21(18-9-5-4-6-10-18)24-12-8-7-11-23(24,3)22(20)25/h7-9,11-15H,4-6,10H2,1-3H3
InChIKeyWOIIHHWRDHFRMF-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-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 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one?
The IUPAC name of 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one (CID 46221367) is 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one is Cc1cc(C)cc(C2=C(C3=CCCCC3)N3C=CC=CC3(C)C2=O)c1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one?
The InChIKey is WOIIHHWRDHFRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-16-13-17(2)15-19(14-16)20-21(18-9-5-4-6-10-18)24-12-8-7-11-23(24,3)22(20)25/h7-9,11-15H,4-6,10H2,1-3H3.
What are the key properties of 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one?
3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one has a molecular weight of 331.46 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-(3,5-dimethylphenyl)-8a-methylindolizin-1-one is sourced from PubChem (CID 46221367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).