ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile

C8H16NP — CID 144712712

IUPACethane;(2E)-2-(phosphanylmethylidene)pentanenitrile
SMILESCC.CCC/C(C#N)=C\P
InChIInChI=1S/C6H10NP.C2H6/c1-2-3-6(4-7)5-8;1-2/h5H,2-3,8H2,1H3;1-2H3/b6-5+;
InChIKeyWWBSSWUAWLIKAV-IPZCTEOASA-N
MW157.20 g/mol
LogP3.10
Rot. Bonds2

About ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile

ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile (PubChem CID 144712712) has the molecular formula C8H16NP and a molecular weight of 157.20 g/mol. Its IUPAC name is ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile.

Molecular Properties

Compound Nameethane;(2E)-2-(phosphanylmethylidene)pentanenitrile
PubChem CID144712712
Molecular FormulaC8H16NP
Molecular Weight157.20 g/mol
Exact Mass157.10
IUPAC Nameethane;(2E)-2-(phosphanylmethylidene)pentanenitrile
SMILESCC.CCC/C(C#N)=C\P
InChIInChI=1S/C6H10NP.C2H6/c1-2-3-6(4-7)5-8;1-2/h5H,2-3,8H2,1H3;1-2H3/b6-5+;
InChIKeyWWBSSWUAWLIKAV-IPZCTEOASA-N
XLogP3.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile?
The IUPAC name of ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile (CID 144712712) is ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile.
What is the SMILES notation for ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile?
The canonical SMILES for ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile is CC.CCC/C(C#N)=C\P.
What is the InChIKey of ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile?
The InChIKey is WWBSSWUAWLIKAV-IPZCTEOASA-N. The full InChI is InChI=1S/C6H10NP.C2H6/c1-2-3-6(4-7)5-8;1-2/h5H,2-3,8H2,1H3;1-2H3/b6-5+;.
What are the key properties of ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile?
ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile has a molecular weight of 157.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-(phosphanylmethylidene)pentanenitrile is sourced from PubChem (CID 144712712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).