N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide

C17H14N2O2 — CID 87669871

IUPACN-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
SMILESCc1ccn2c(NC(=O)C=O)c(-c3ccccc3)cc2c1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-19-14(9-12)10-15(13-5-3-2-4-6-13)17(19)18-16(21)11-20/h2-11H,1H3,(H,18,21)
InChIKeyQENJOXKNZRYGNI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.05
Rot. Bonds3

About N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide

N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide (PubChem CID 87669871) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
PubChem CID87669871
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
SMILESCc1ccn2c(NC(=O)C=O)c(-c3ccccc3)cc2c1
InChIInChI=1S/C17H14N2O2/c1-12-7-8-19-14(9-12)10-15(13-5-3-2-4-6-13)17(19)18-16(21)11-20/h2-11H,1H3,(H,18,21)
InChIKeyQENJOXKNZRYGNI-UHFFFAOYSA-N
XLogP3.05
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?
The IUPAC name of N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide (CID 87669871) is N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide is Cc1ccn2c(NC(=O)C=O)c(-c3ccccc3)cc2c1.
What is the InChIKey of N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?
The InChIKey is QENJOXKNZRYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-8-19-14(9-12)10-15(13-5-3-2-4-6-13)17(19)18-16(21)11-20/h2-11H,1H3,(H,18,21).
What are the key properties of N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?
N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide has a molecular weight of 278.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide is sourced from PubChem (CID 87669871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).