3-[chloro(methyl)phosphanyl]oxypropanenitrile

C4H7ClNOP — CID 20605747

IUPAC3-[chloro(methyl)phosphanyl]oxypropanenitrile
SMILESCP(Cl)OCCC#N
InChIInChI=1S/C4H7ClNOP/c1-8(5)7-4-2-3-6/h2,4H2,1H3
InChIKeyIOAKKFBJPMHYBV-UHFFFAOYSA-N
MW151.53 g/mol
LogP2.10
Rot. Bonds3

About 3-[chloro(methyl)phosphanyl]oxypropanenitrile

3-[chloro(methyl)phosphanyl]oxypropanenitrile (PubChem CID 20605747) has the molecular formula C4H7ClNOP and a molecular weight of 151.53 g/mol. Its IUPAC name is 3-[chloro(methyl)phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[chloro(methyl)phosphanyl]oxypropanenitrile
PubChem CID20605747
Molecular FormulaC4H7ClNOP
Molecular Weight151.53 g/mol
Exact Mass151.00
IUPAC Name3-[chloro(methyl)phosphanyl]oxypropanenitrile
SMILESCP(Cl)OCCC#N
InChIInChI=1S/C4H7ClNOP/c1-8(5)7-4-2-3-6/h2,4H2,1H3
InChIKeyIOAKKFBJPMHYBV-UHFFFAOYSA-N
XLogP2.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.53
LogP ≤ 52.10
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'}

Analyze 3-[chloro(methyl)phosphanyl]oxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
3-[methyl(methylaminomethoxy)phosphanyl]oxypropanenitrile
CID 58689682
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-chlorophosphanyloxypropanenitrile;ethane
CID 142844149
3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
CID 10013594
3-methoxypropanenitrile
CID 161061289
bis(2-cyanoethoxyphosphonamidous acid);sulfane
CID 174370903
2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium
CID 173481454
3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile
CID 144952761
ethane;3-methoxypropanenitrile
CID 142187534

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(methyl)phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[chloro(methyl)phosphanyl]oxypropanenitrile (CID 20605747) is 3-[chloro(methyl)phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[chloro(methyl)phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[chloro(methyl)phosphanyl]oxypropanenitrile is CP(Cl)OCCC#N.
What is the InChIKey of 3-[chloro(methyl)phosphanyl]oxypropanenitrile?
The InChIKey is IOAKKFBJPMHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClNOP/c1-8(5)7-4-2-3-6/h2,4H2,1H3.
What are the key properties of 3-[chloro(methyl)phosphanyl]oxypropanenitrile?
3-[chloro(methyl)phosphanyl]oxypropanenitrile has a molecular weight of 151.53 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(methyl)phosphanyl]oxypropanenitrile is sourced from PubChem (CID 20605747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).