butan-2-ylphosphanylformonitrile

C5H10NP — CID 167215393

IUPACbutan-2-ylphosphanylformonitrile
SMILESCCC(C)PC#N
InChIInChI=1S/C5H10NP/c1-3-5(2)7-4-6/h5,7H,3H2,1-2H3
InChIKeyBHGIXXBHYFBVTF-UHFFFAOYSA-N
MW115.12 g/mol
LogP1.94
Rot. Bonds2

About butan-2-ylphosphanylformonitrile

butan-2-ylphosphanylformonitrile (PubChem CID 167215393) has the molecular formula C5H10NP and a molecular weight of 115.12 g/mol. Its IUPAC name is butan-2-ylphosphanylformonitrile.

Molecular Properties

Compound Namebutan-2-ylphosphanylformonitrile
PubChem CID167215393
Molecular FormulaC5H10NP
Molecular Weight115.12 g/mol
Exact Mass115.06
IUPAC Namebutan-2-ylphosphanylformonitrile
SMILESCCC(C)PC#N
InChIInChI=1S/C5H10NP/c1-3-5(2)7-4-6/h5,7H,3H2,1-2H3
InChIKeyBHGIXXBHYFBVTF-UHFFFAOYSA-N
XLogP1.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.12
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-ylphosphanylpropan-1-ol
CID 174328371
sodium 2-methylbutanenitrile
CID 23346888
3-methylpentane;hydrate
CID 144914279
CID 134889751
CID 134889751
(3R)-3-hydroxy-2-methylpentanenitrile
CID 141061922
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
2-selanylbutanenitrile
CID 175358380
chloro-dicyano-ethylphosphanium
CID 87318845
2-ethylpropane-1,1,3,3-tetracarbonitrile
CID 14615450
hex-3-ene;2-methylbutanenitrile
CID 159677833
2-butan-2-yl-2-hydroxy-3-methylpentanenitrile
CID 21399613

Frequently Asked Questions

What is the IUPAC name of butan-2-ylphosphanylformonitrile?
The IUPAC name of butan-2-ylphosphanylformonitrile (CID 167215393) is butan-2-ylphosphanylformonitrile.
What is the SMILES notation for butan-2-ylphosphanylformonitrile?
The canonical SMILES for butan-2-ylphosphanylformonitrile is CCC(C)PC#N.
What is the InChIKey of butan-2-ylphosphanylformonitrile?
The InChIKey is BHGIXXBHYFBVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NP/c1-3-5(2)7-4-6/h5,7H,3H2,1-2H3.
What are the key properties of butan-2-ylphosphanylformonitrile?
butan-2-ylphosphanylformonitrile has a molecular weight of 115.12 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylphosphanylformonitrile is sourced from PubChem (CID 167215393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).