4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione

C19H14N2O3 — CID 71613072

IUPAC4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
SMILESCCN1C(=O)c2c(c3ccccn3c2C(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H14N2O3/c1-2-20-18(23)14-13-10-6-7-11-21(13)16(15(14)19(20)24)17(22)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyYXCMCINPODSYLL-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.79
Rot. Bonds3

About 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione

4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione (PubChem CID 71613072) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione.

Molecular Properties

Compound Name4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
PubChem CID71613072
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
SMILESCCN1C(=O)c2c(c3ccccn3c2C(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H14N2O3/c1-2-20-18(23)14-13-10-6-7-11-21(13)16(15(14)19(20)24)17(22)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyYXCMCINPODSYLL-UHFFFAOYSA-N
XLogP2.79
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
CID 12067040
2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
CID 10689548
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
1-(1-benzoyl-2-propylindolizin-3-yl)ethanone
CID 71679725
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
dibutyl 3-benzoylindolizine-1,2-dicarboxylate
CID 141260266
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
1-[3-(4-phenylbenzoyl)-2-(4-phenylphenyl)indolizin-1-yl]pyridin-2-one
CID 175736213
methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435
(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione?
The IUPAC name of 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione (CID 71613072) is 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione.
What is the SMILES notation for 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione?
The canonical SMILES for 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione is CCN1C(=O)c2c(c3ccccn3c2C(=O)c2ccccc2)C1=O.
What is the InChIKey of 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione?
The InChIKey is YXCMCINPODSYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-2-20-18(23)14-13-10-6-7-11-21(13)16(15(14)19(20)24)17(22)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione?
4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione has a molecular weight of 318.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione is sourced from PubChem (CID 71613072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).