2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

C16H15N3O — CID 759944

IUPAC2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C16H15N3O/c17-10-12-13-8-4-5-9-19(13)15(14(12)18)16(20)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9,18H2
InChIKeyYQXZMOQYAMECQX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.51
Rot. Bonds2

About 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 759944) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID759944
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C16H15N3O/c17-10-12-13-8-4-5-9-19(13)15(14(12)18)16(20)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9,18H2
InChIKeyYQXZMOQYAMECQX-UHFFFAOYSA-N
XLogP2.51
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 759944) is 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2.
What is the InChIKey of 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is YQXZMOQYAMECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-12-13-8-4-5-9-19(13)15(14(12)18)16(20)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9,18H2.
What are the key properties of 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 759944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).