2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid

C23H17NO3 — CID 10689548

IUPAC2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C23H17NO3/c25-20(26)15-18-19-13-7-8-14-24(19)22(21(18)16-9-3-1-4-10-16)23(27)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26)
InChIKeyVPXHDABVQQJONA-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid

2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid (PubChem CID 10689548) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
PubChem CID10689548
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C23H17NO3/c25-20(26)15-18-19-13-7-8-14-24(19)22(21(18)16-9-3-1-4-10-16)23(27)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26)
InChIKeyVPXHDABVQQJONA-UHFFFAOYSA-N
XLogP4.46
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
CID 132941529
4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
CID 71613072
1-[3-(4-phenylbenzoyl)-2-(4-phenylphenyl)indolizin-1-yl]pyridin-2-one
CID 175736213
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
(1-bromo-2-phenylindolizin-3-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 57081637
phenacyl 2-hydroxy-1-phenylindolizine-3-carbodithioate
CID 135528773
1-(1-benzoyl-2-propylindolizin-3-yl)ethanone
CID 71679725
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid (CID 10689548) is 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid is O=C(O)Cc1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12.
What is the InChIKey of 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid?
The InChIKey is VPXHDABVQQJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-20(26)15-18-19-13-7-8-14-24(19)22(21(18)16-9-3-1-4-10-16)23(27)17-11-5-2-6-12-17/h1-14H,15H2,(H,25,26).
What are the key properties of 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid?
2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid has a molecular weight of 355.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid is sourced from PubChem (CID 10689548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).