3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile

C6H10NO2P — CID 144952761

IUPAC3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile
SMILESC=CP(OC)OCCC#N
InChIInChI=1S/C6H10NO2P/c1-3-10(8-2)9-6-4-5-7/h3H,1,4,6H2,2H3
InChIKeyFXEDNYVUCLMMDU-UHFFFAOYSA-N
MW159.12 g/mol
LogP2.02
Rot. Bonds5

About 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile

3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile (PubChem CID 144952761) has the molecular formula C6H10NO2P and a molecular weight of 159.12 g/mol. Its IUPAC name is 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile
PubChem CID144952761
Molecular FormulaC6H10NO2P
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile
SMILESC=CP(OC)OCCC#N
InChIInChI=1S/C6H10NO2P/c1-3-10(8-2)9-6-4-5-7/h3H,1,4,6H2,2H3
InChIKeyFXEDNYVUCLMMDU-UHFFFAOYSA-N
XLogP2.02
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
methanol;3-methoxypropanenitrile;prop-2-enenitrile
CID 163626340
3-methoxypropanenitrile
CID 161061289
ethane;3-methoxypropanenitrile
CID 142187534
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-methylperoxypropanenitrile
CID 22946466
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738

Frequently Asked Questions

What is the IUPAC name of 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile (CID 144952761) is 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile is C=CP(OC)OCCC#N.
What is the InChIKey of 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile?
The InChIKey is FXEDNYVUCLMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2P/c1-3-10(8-2)9-6-4-5-7/h3H,1,4,6H2,2H3.
What are the key properties of 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile?
3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile has a molecular weight of 159.12 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile is sourced from PubChem (CID 144952761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).