indolizine-2-carbonitrile

C9H6N2 — CID 53436697

IUPACindolizine-2-carbonitrile
SMILESN#Cc1cc2ccccn2c1
InChIInChI=1S/C9H6N2/c10-6-8-5-9-3-1-2-4-11(9)7-8/h1-5,7H
InChIKeyLOQCUYOSKCAMJF-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.81
Rot. Bonds

About indolizine-2-carbonitrile

indolizine-2-carbonitrile (PubChem CID 53436697) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is indolizine-2-carbonitrile.

Molecular Properties

Compound Nameindolizine-2-carbonitrile
PubChem CID53436697
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Nameindolizine-2-carbonitrile
SMILESN#Cc1cc2ccccn2c1
InChIInChI=1S/C9H6N2/c10-6-8-5-9-3-1-2-4-11(9)7-8/h1-5,7H
InChIKeyLOQCUYOSKCAMJF-UHFFFAOYSA-N
XLogP1.81
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indolizine-2-carbonitrile?
The IUPAC name of indolizine-2-carbonitrile (CID 53436697) is indolizine-2-carbonitrile.
What is the SMILES notation for indolizine-2-carbonitrile?
The canonical SMILES for indolizine-2-carbonitrile is N#Cc1cc2ccccn2c1.
What is the InChIKey of indolizine-2-carbonitrile?
The InChIKey is LOQCUYOSKCAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c10-6-8-5-9-3-1-2-4-11(9)7-8/h1-5,7H.
What are the key properties of indolizine-2-carbonitrile?
indolizine-2-carbonitrile has a molecular weight of 142.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indolizine-2-carbonitrile is sourced from PubChem (CID 53436697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).