1-(1-benzoyl-2-propylindolizin-3-yl)ethanone

C20H19NO2 — CID 71679725

IUPAC1-(1-benzoyl-2-propylindolizin-3-yl)ethanone
SMILESCCCc1c(C(=O)c2ccccc2)c2ccccn2c1C(C)=O
InChIInChI=1S/C20H19NO2/c1-3-9-16-18(20(23)15-10-5-4-6-11-15)17-12-7-8-13-21(17)19(16)14(2)22/h4-8,10-13H,3,9H2,1-2H3
InChIKeyZVZGDEHAHJENAV-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.33
Rot. Bonds5

About 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone

1-(1-benzoyl-2-propylindolizin-3-yl)ethanone (PubChem CID 71679725) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzoyl-2-propylindolizin-3-yl)ethanone
PubChem CID71679725
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-(1-benzoyl-2-propylindolizin-3-yl)ethanone
SMILESCCCc1c(C(=O)c2ccccc2)c2ccccn2c1C(C)=O
InChIInChI=1S/C20H19NO2/c1-3-9-16-18(20(23)15-10-5-4-6-11-15)17-12-7-8-13-21(17)19(16)14(2)22/h4-8,10-13H,3,9H2,1-2H3
InChIKeyZVZGDEHAHJENAV-UHFFFAOYSA-N
XLogP4.33
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibutyl 3-benzoylindolizine-1,2-dicarboxylate
CID 141260266
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
CID 71613072
methyl 2-(1-benzoyl-2-methylindolizin-3-yl)-2-oxoacetate
CID 69122341
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
(3-bromo-4-hydroxyphenyl)-(1-methyl-2-propylindolizin-3-yl)methanone
CID 13400143
2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
CID 10689548
1-[2-fluoro-1-(trifluoromethyl)indolizin-3-yl]ethanone
CID 110282025
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
phenyl-(2,3,4,5-tetrapropylphenyl)methanone
CID 134864036

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone?
The IUPAC name of 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone (CID 71679725) is 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone.
What is the SMILES notation for 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone?
The canonical SMILES for 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone is CCCc1c(C(=O)c2ccccc2)c2ccccn2c1C(C)=O.
What is the InChIKey of 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone?
The InChIKey is ZVZGDEHAHJENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-9-16-18(20(23)15-10-5-4-6-11-15)17-12-7-8-13-21(17)19(16)14(2)22/h4-8,10-13H,3,9H2,1-2H3.
What are the key properties of 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone?
1-(1-benzoyl-2-propylindolizin-3-yl)ethanone has a molecular weight of 305.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-2-propylindolizin-3-yl)ethanone is sourced from PubChem (CID 71679725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).