8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one

C23H19NO — CID 46221133

IUPAC8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one
SMILESCC12C=CC=CN1C(c1ccccc1)=C(/C=C/c1ccccc1)C2=O
InChIInChI=1S/C23H19NO/c1-23-16-8-9-17-24(23)21(19-12-6-3-7-13-19)20(22(23)25)15-14-18-10-4-2-5-11-18/h2-17H,1H3/b15-14+
InChIKeyLBUDVTNHGMZMHZ-CCEZHUSRSA-N
MW325.41 g/mol
LogP4.84
Rot. Bonds3

About 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one

8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one (PubChem CID 46221133) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one.

Molecular Properties

Compound Name8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one
PubChem CID46221133
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one
SMILESCC12C=CC=CN1C(c1ccccc1)=C(/C=C/c1ccccc1)C2=O
InChIInChI=1S/C23H19NO/c1-23-16-8-9-17-24(23)21(19-12-6-3-7-13-19)20(22(23)25)15-14-18-10-4-2-5-11-18/h2-17H,1H3/b15-14+
InChIKeyLBUDVTNHGMZMHZ-CCEZHUSRSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-8a-methyl-3-phenylindolizin-1-one
CID 46220921
3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one
CID 12856960
CID 70567885
CID 70567885
CID 70569152
CID 70569152
acetic acid;stilbene
CID 172803728
2-[(E)-2-phenylethenyl]azulene
CID 12674002
3-methylsulfanyl-4-[(E)-2-phenylethenyl]pyrrole-2,5-dione
CID 102340053
1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
N,N-dimethylmethanamine;stilbene
CID 174368184
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
pyrrolidine-2,5-dione;stilbene
CID 70488570

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one?
The IUPAC name of 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one (CID 46221133) is 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one.
What is the SMILES notation for 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one?
The canonical SMILES for 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one is CC12C=CC=CN1C(c1ccccc1)=C(/C=C/c1ccccc1)C2=O.
What is the InChIKey of 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one?
The InChIKey is LBUDVTNHGMZMHZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H19NO/c1-23-16-8-9-17-24(23)21(19-12-6-3-7-13-19)20(22(23)25)15-14-18-10-4-2-5-11-18/h2-17H,1H3/b15-14+.
What are the key properties of 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one?
8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one has a molecular weight of 325.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-3-phenyl-2-[(E)-2-phenylethenyl]indolizin-1-one is sourced from PubChem (CID 46221133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).