3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile

C8H13N2P — CID 57019271

IUPAC3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
SMILESCCP(CCC#N)CCC#N
InChIInChI=1S/C8H13N2P/c1-2-11(7-3-5-9)8-4-6-10/h2-4,7-8H2,1H3
InChIKeyAYWYCSYSRQJBRX-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.32
Rot. Bonds5

About 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile

3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile (PubChem CID 57019271) has the molecular formula C8H13N2P and a molecular weight of 168.18 g/mol. Its IUPAC name is 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
PubChem CID57019271
Molecular FormulaC8H13N2P
Molecular Weight168.18 g/mol
Exact Mass168.08
IUPAC Name3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
SMILESCCP(CCC#N)CCC#N
InChIInChI=1S/C8H13N2P/c1-2-11(7-3-5-9)8-4-6-10/h2-4,7-8H2,1H3
InChIKeyAYWYCSYSRQJBRX-UHFFFAOYSA-N
XLogP2.32
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile (CID 57019271) is 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile is CCP(CCC#N)CCC#N.
What is the InChIKey of 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile?
The InChIKey is AYWYCSYSRQJBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2P/c1-2-11(7-3-5-9)8-4-6-10/h2-4,7-8H2,1H3.
What are the key properties of 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile?
3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile has a molecular weight of 168.18 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile is sourced from PubChem (CID 57019271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).