1-aminoprop-2-enoxyphosphonamidous acid

C3H9N2O2P — CID 87450954

IUPAC1-aminoprop-2-enoxyphosphonamidous acid
SMILESC=CC(N)OP(N)O
InChIInChI=1S/C3H9N2O2P/c1-2-3(4)7-8(5)6/h2-3,6H,1,4-5H2
InChIKeyYYJWDBRMMYZRCD-UHFFFAOYSA-N
MW136.09 g/mol
LogP-0.35
Rot. Bonds3

About 1-aminoprop-2-enoxyphosphonamidous acid

1-aminoprop-2-enoxyphosphonamidous acid (PubChem CID 87450954) has the molecular formula C3H9N2O2P and a molecular weight of 136.09 g/mol. Its IUPAC name is 1-aminoprop-2-enoxyphosphonamidous acid.

Molecular Properties

Compound Name1-aminoprop-2-enoxyphosphonamidous acid
PubChem CID87450954
Molecular FormulaC3H9N2O2P
Molecular Weight136.09 g/mol
Exact Mass136.04
IUPAC Name1-aminoprop-2-enoxyphosphonamidous acid
SMILESC=CC(N)OP(N)O
InChIInChI=1S/C3H9N2O2P/c1-2-3(4)7-8(5)6/h2-3,6H,1,4-5H2
InChIKeyYYJWDBRMMYZRCD-UHFFFAOYSA-N
XLogP-0.35
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoprop-2-enoxyphosphonamidous acid?
The IUPAC name of 1-aminoprop-2-enoxyphosphonamidous acid (CID 87450954) is 1-aminoprop-2-enoxyphosphonamidous acid.
What is the SMILES notation for 1-aminoprop-2-enoxyphosphonamidous acid?
The canonical SMILES for 1-aminoprop-2-enoxyphosphonamidous acid is C=CC(N)OP(N)O.
What is the InChIKey of 1-aminoprop-2-enoxyphosphonamidous acid?
The InChIKey is YYJWDBRMMYZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O2P/c1-2-3(4)7-8(5)6/h2-3,6H,1,4-5H2.
What are the key properties of 1-aminoprop-2-enoxyphosphonamidous acid?
1-aminoprop-2-enoxyphosphonamidous acid has a molecular weight of 136.09 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-enoxyphosphonamidous acid is sourced from PubChem (CID 87450954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).