ethyl 2-(3-aminophenyl)indolizine-1-carboxylate

C17H16N2O2 — CID 1481502

IUPACethyl 2-(3-aminophenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(N)c2)cn2ccccc12
InChIInChI=1S/C17H16N2O2/c1-2-21-17(20)16-14(12-6-5-7-13(18)10-12)11-19-9-4-3-8-15(16)19/h3-11H,2,18H2,1H3
InChIKeySZYXMSGTJCXHPH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About ethyl 2-(3-aminophenyl)indolizine-1-carboxylate

ethyl 2-(3-aminophenyl)indolizine-1-carboxylate (PubChem CID 1481502) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 2-(3-aminophenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-aminophenyl)indolizine-1-carboxylate
PubChem CID1481502
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-(3-aminophenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(N)c2)cn2ccccc12
InChIInChI=1S/C17H16N2O2/c1-2-21-17(20)16-14(12-6-5-7-13(18)10-12)11-19-9-4-3-8-15(16)19/h3-11H,2,18H2,1H3
InChIKeySZYXMSGTJCXHPH-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-aminophenyl)indolizine-1-carboxylate 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 ethyl 2-(3-aminophenyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 2-(3-aminophenyl)indolizine-1-carboxylate (CID 1481502) is ethyl 2-(3-aminophenyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-aminophenyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(3-aminophenyl)indolizine-1-carboxylate is CCOC(=O)c1c(-c2cccc(N)c2)cn2ccccc12.
What is the InChIKey of ethyl 2-(3-aminophenyl)indolizine-1-carboxylate?
The InChIKey is SZYXMSGTJCXHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-17(20)16-14(12-6-5-7-13(18)10-12)11-19-9-4-3-8-15(16)19/h3-11H,2,18H2,1H3.
What are the key properties of ethyl 2-(3-aminophenyl)indolizine-1-carboxylate?
ethyl 2-(3-aminophenyl)indolizine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminophenyl)indolizine-1-carboxylate is sourced from PubChem (CID 1481502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).