4-chlorophosphanyloxybutanenitrile

C4H7ClNOP — CID 163644616

IUPAC4-chlorophosphanyloxybutanenitrile
SMILESN#CCCCOPCl
InChIInChI=1S/C4H7ClNOP/c5-8-7-4-2-1-3-6/h8H,1-2,4H2
InChIKeyIHEULWMVMZTSMK-UHFFFAOYSA-N
MW151.53 g/mol
LogP2.05
Rot. Bonds4

About 4-chlorophosphanyloxybutanenitrile

4-chlorophosphanyloxybutanenitrile (PubChem CID 163644616) has the molecular formula C4H7ClNOP and a molecular weight of 151.53 g/mol. Its IUPAC name is 4-chlorophosphanyloxybutanenitrile.

Molecular Properties

Compound Name4-chlorophosphanyloxybutanenitrile
PubChem CID163644616
Molecular FormulaC4H7ClNOP
Molecular Weight151.53 g/mol
Exact Mass151.00
IUPAC Name4-chlorophosphanyloxybutanenitrile
SMILESN#CCCCOPCl
InChIInChI=1S/C4H7ClNOP/c5-8-7-4-2-1-3-6/h8H,1-2,4H2
InChIKeyIHEULWMVMZTSMK-UHFFFAOYSA-N
XLogP2.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.53
LogP ≤ 52.05
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

3-chlorophosphanyloxypropanenitrile;ethane
CID 142844149
carbanide;3-chlorophosphanyloxypropanenitrile;nickel
CID 58133304
4-hydroperoxybutanenitrile
CID 56625619
4-(cyanomethoxy)butanenitrile
CID 142730412
henicosanedinitrile
CID 87345062
4-pentoxybutanenitrile
CID 43275140
4-but-3-ynoxybutanenitrile
CID 134336232
chlorophosphanyl-(2-cyanoethoxy)-di(propan-2-yl)azanium
CID 22605280
CID 21422929
CID 21422929
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
4-(2-chloro-4-methylphenoxy)butanenitrile
CID 62669172
3-cyanopropyl 1,1-difluoroethanesulfonate
CID 130295365

Frequently Asked Questions

What is the IUPAC name of 4-chlorophosphanyloxybutanenitrile?
The IUPAC name of 4-chlorophosphanyloxybutanenitrile (CID 163644616) is 4-chlorophosphanyloxybutanenitrile.
What is the SMILES notation for 4-chlorophosphanyloxybutanenitrile?
The canonical SMILES for 4-chlorophosphanyloxybutanenitrile is N#CCCCOPCl.
What is the InChIKey of 4-chlorophosphanyloxybutanenitrile?
The InChIKey is IHEULWMVMZTSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClNOP/c5-8-7-4-2-1-3-6/h8H,1-2,4H2.
What are the key properties of 4-chlorophosphanyloxybutanenitrile?
4-chlorophosphanyloxybutanenitrile has a molecular weight of 151.53 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophosphanyloxybutanenitrile is sourced from PubChem (CID 163644616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).