3-[amino(methoxy)phosphanyl]oxypropanenitrile

C4H9N2O2P — CID 20723767

IUPAC3-[amino(methoxy)phosphanyl]oxypropanenitrile
SMILESCOP(N)OCCC#N
InChIInChI=1S/C4H9N2O2P/c1-7-9(6)8-4-2-3-5/h2,4,6H2,1H3
InChIKeyBSMIOHCRPJJXBC-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.75
Rot. Bonds4

About 3-[amino(methoxy)phosphanyl]oxypropanenitrile

3-[amino(methoxy)phosphanyl]oxypropanenitrile (PubChem CID 20723767) has the molecular formula C4H9N2O2P and a molecular weight of 148.10 g/mol. Its IUPAC name is 3-[amino(methoxy)phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[amino(methoxy)phosphanyl]oxypropanenitrile
PubChem CID20723767
Molecular FormulaC4H9N2O2P
Molecular Weight148.10 g/mol
Exact Mass148.04
IUPAC Name3-[amino(methoxy)phosphanyl]oxypropanenitrile
SMILESCOP(N)OCCC#N
InChIInChI=1S/C4H9N2O2P/c1-7-9(6)8-4-2-3-5/h2,4,6H2,1H3
InChIKeyBSMIOHCRPJJXBC-UHFFFAOYSA-N
XLogP0.75
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methoxy)phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[amino(methoxy)phosphanyl]oxypropanenitrile (CID 20723767) is 3-[amino(methoxy)phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[amino(methoxy)phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[amino(methoxy)phosphanyl]oxypropanenitrile is COP(N)OCCC#N.
What is the InChIKey of 3-[amino(methoxy)phosphanyl]oxypropanenitrile?
The InChIKey is BSMIOHCRPJJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O2P/c1-7-9(6)8-4-2-3-5/h2,4,6H2,1H3.
What are the key properties of 3-[amino(methoxy)phosphanyl]oxypropanenitrile?
3-[amino(methoxy)phosphanyl]oxypropanenitrile has a molecular weight of 148.10 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methoxy)phosphanyl]oxypropanenitrile is sourced from PubChem (CID 20723767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).