3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one

C17H13ClN2O — CID 71403727

IUPAC3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one
SMILESCCn1cc(-c2ccc(Cl)cc2)c2c1C(=O)c1cccn1-2
InChIInChI=1S/C17H13ClN2O/c1-2-19-10-13(11-5-7-12(18)8-6-11)15-16(19)17(21)14-4-3-9-20(14)15/h3-10H,2H2,1H3
InChIKeyGYOXFUXKSUQDOO-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.16
Rot. Bonds2

About 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one

3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one (PubChem CID 71403727) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one
PubChem CID71403727
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one
SMILESCCn1cc(-c2ccc(Cl)cc2)c2c1C(=O)c1cccn1-2
InChIInChI=1S/C17H13ClN2O/c1-2-19-10-13(11-5-7-12(18)8-6-11)15-16(19)17(21)14-4-3-9-20(14)15/h3-10H,2H2,1H3
InChIKeyGYOXFUXKSUQDOO-UHFFFAOYSA-N
XLogP4.16
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-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-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one?
The IUPAC name of 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one (CID 71403727) is 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one is CCn1cc(-c2ccc(Cl)cc2)c2c1C(=O)c1cccn1-2.
What is the InChIKey of 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one?
The InChIKey is GYOXFUXKSUQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-2-19-10-13(11-5-7-12(18)8-6-11)15-16(19)17(21)14-4-3-9-20(14)15/h3-10H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one?
3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one has a molecular weight of 296.76 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-ethylpyrrolo[2,3-b]pyrrolizin-8-one is sourced from PubChem (CID 71403727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).