2-amino-3-benzoylindolizine-1-carbonitrile

C16H11N3O — CID 3612336

IUPAC2-amino-3-benzoylindolizine-1-carbonitrile
SMILESN#Cc1c(N)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C16H11N3O/c17-10-12-13-8-4-5-9-19(13)15(14(12)18)16(20)11-6-2-1-3-7-11/h1-9H,18H2
InChIKeyCYDGAAPSTIKZSV-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.62
Rot. Bonds2

About 2-amino-3-benzoylindolizine-1-carbonitrile

2-amino-3-benzoylindolizine-1-carbonitrile (PubChem CID 3612336) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-amino-3-benzoylindolizine-1-carbonitrile.

Molecular Properties

Compound Name2-amino-3-benzoylindolizine-1-carbonitrile
PubChem CID3612336
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-amino-3-benzoylindolizine-1-carbonitrile
SMILESN#Cc1c(N)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C16H11N3O/c17-10-12-13-8-4-5-9-19(13)15(14(12)18)16(20)11-6-2-1-3-7-11/h1-9H,18H2
InChIKeyCYDGAAPSTIKZSV-UHFFFAOYSA-N
XLogP2.62
TPSA71.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzoylindolizine-1-carbonitrile?
The IUPAC name of 2-amino-3-benzoylindolizine-1-carbonitrile (CID 3612336) is 2-amino-3-benzoylindolizine-1-carbonitrile.
What is the SMILES notation for 2-amino-3-benzoylindolizine-1-carbonitrile?
The canonical SMILES for 2-amino-3-benzoylindolizine-1-carbonitrile is N#Cc1c(N)c(C(=O)c2ccccc2)n2ccccc12.
What is the InChIKey of 2-amino-3-benzoylindolizine-1-carbonitrile?
The InChIKey is CYDGAAPSTIKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-10-12-13-8-4-5-9-19(13)15(14(12)18)16(20)11-6-2-1-3-7-11/h1-9H,18H2.
What are the key properties of 2-amino-3-benzoylindolizine-1-carbonitrile?
2-amino-3-benzoylindolizine-1-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzoylindolizine-1-carbonitrile is sourced from PubChem (CID 3612336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).