3-phosphorosopropanenitrile

C3H4NOP — CID 19982354

IUPAC3-phosphorosopropanenitrile
SMILESN#CCCP=O
InChIInChI=1S/C3H4NOP/c4-2-1-3-6-5/h1,3H2
InChIKeyGOKRRJWCCVLFMT-UHFFFAOYSA-N
MW101.05 g/mol
LogP1.19
Rot. Bonds2

About 3-phosphorosopropanenitrile

3-phosphorosopropanenitrile (PubChem CID 19982354) has the molecular formula C3H4NOP and a molecular weight of 101.05 g/mol. Its IUPAC name is 3-phosphorosopropanenitrile.

Molecular Properties

Compound Name3-phosphorosopropanenitrile
PubChem CID19982354
Molecular FormulaC3H4NOP
Molecular Weight101.05 g/mol
Exact Mass101.00
IUPAC Name3-phosphorosopropanenitrile
SMILESN#CCCP=O
InChIInChI=1S/C3H4NOP/c4-2-1-3-6-5/h1,3H2
InChIKeyGOKRRJWCCVLFMT-UHFFFAOYSA-N
XLogP1.19
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.05
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-4-phosphorosoheptanedinitrile
CID 88837871
henicosanedinitrile
CID 87345062
3-phosphorosopropan-1-ol;hydrate
CID 88696347
3-[bis(2-cyanoethyl)phosphoryl-(2-cyanoethyl)phosphoryl]propanenitrile
CID 167165584
cyanophosphanium
CID 23594344
CID 13377836
CID 13377836
phosphorosoformonitrile
CID 18673237
alumane;butanenitrile
CID 174728323
3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile
CID 166999311
butanenitrile;ethane
CID 91457061
2-cyanoethyl(methylidyne)azanium
CID 88754984
3-(2-cyanoethylamino)propanenitrile
CID 160846337

Frequently Asked Questions

What is the IUPAC name of 3-phosphorosopropanenitrile?
The IUPAC name of 3-phosphorosopropanenitrile (CID 19982354) is 3-phosphorosopropanenitrile.
What is the SMILES notation for 3-phosphorosopropanenitrile?
The canonical SMILES for 3-phosphorosopropanenitrile is N#CCCP=O.
What is the InChIKey of 3-phosphorosopropanenitrile?
The InChIKey is GOKRRJWCCVLFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NOP/c4-2-1-3-6-5/h1,3H2.
What are the key properties of 3-phosphorosopropanenitrile?
3-phosphorosopropanenitrile has a molecular weight of 101.05 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphorosopropanenitrile is sourced from PubChem (CID 19982354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).