2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile

C13H15N2P — CID 21319551

IUPAC2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile
SMILESCCCP(CC(C#N)C#N)c1ccccc1
InChIInChI=1S/C13H15N2P/c1-2-8-16(11-12(9-14)10-15)13-6-4-3-5-7-13/h3-7,12H,2,8,11H2,1H3
InChIKeyCZWYBSOUGIMDCM-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.87
Rot. Bonds5

About 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile

2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile (PubChem CID 21319551) has the molecular formula C13H15N2P and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile.

Molecular Properties

Compound Name2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile
PubChem CID21319551
Molecular FormulaC13H15N2P
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile
SMILESCCCP(CC(C#N)C#N)c1ccccc1
InChIInChI=1S/C13H15N2P/c1-2-8-16(11-12(9-14)10-15)13-6-4-3-5-7-13/h3-7,12H,2,8,11H2,1H3
InChIKeyCZWYBSOUGIMDCM-UHFFFAOYSA-N
XLogP2.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.87
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 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile?
The IUPAC name of 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile (CID 21319551) is 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile.
What is the SMILES notation for 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile?
The canonical SMILES for 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile is CCCP(CC(C#N)C#N)c1ccccc1.
What is the InChIKey of 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile?
The InChIKey is CZWYBSOUGIMDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2P/c1-2-8-16(11-12(9-14)10-15)13-6-4-3-5-7-13/h3-7,12H,2,8,11H2,1H3.
What are the key properties of 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile?
2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile has a molecular weight of 230.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[phenyl(propyl)phosphanyl]methyl]propanedinitrile is sourced from PubChem (CID 21319551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).