phosphinoline-4-carbonitrile

C10H6NP — CID 134902124

IUPACphosphinoline-4-carbonitrile
SMILESN#Cc1ccpc2ccccc12
InChIInChI=1S/C10H6NP/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H
InChIKeyGJRUQVCFXYEOGC-UHFFFAOYSA-N
MW171.14 g/mol
LogP3.29
Rot. Bonds

About phosphinoline-4-carbonitrile

phosphinoline-4-carbonitrile (PubChem CID 134902124) has the molecular formula C10H6NP and a molecular weight of 171.14 g/mol. Its IUPAC name is phosphinoline-4-carbonitrile.

Molecular Properties

Compound Namephosphinoline-4-carbonitrile
PubChem CID134902124
Molecular FormulaC10H6NP
Molecular Weight171.14 g/mol
Exact Mass171.02
IUPAC Namephosphinoline-4-carbonitrile
SMILESN#Cc1ccpc2ccccc12
InChIInChI=1S/C10H6NP/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H
InChIKeyGJRUQVCFXYEOGC-UHFFFAOYSA-N
XLogP3.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phosphinoline-4-carbonitrile?
The IUPAC name of phosphinoline-4-carbonitrile (CID 134902124) is phosphinoline-4-carbonitrile.
What is the SMILES notation for phosphinoline-4-carbonitrile?
The canonical SMILES for phosphinoline-4-carbonitrile is N#Cc1ccpc2ccccc12.
What is the InChIKey of phosphinoline-4-carbonitrile?
The InChIKey is GJRUQVCFXYEOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6NP/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H.
What are the key properties of phosphinoline-4-carbonitrile?
phosphinoline-4-carbonitrile has a molecular weight of 171.14 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphinoline-4-carbonitrile is sourced from PubChem (CID 134902124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).