hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium

C4H9NO3P+ — CID 88700386

IUPAChydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium
SMILESC=CCNCO[P+](=O)O
InChIInChI=1S/C4H8NO3P/c1-2-3-5-4-8-9(6)7/h2,5H,1,3-4H2/p+1
InChIKeyMORWZHHCKAUDFO-UHFFFAOYSA-O
MW150.09 g/mol
LogP0.39
Rot. Bonds5

About hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium

hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium (PubChem CID 88700386) has the molecular formula C4H9NO3P+ and a molecular weight of 150.09 g/mol. Its IUPAC name is hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium
PubChem CID88700386
Molecular FormulaC4H9NO3P+
Molecular Weight150.09 g/mol
Exact Mass150.03
IUPAC Namehydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium
SMILESC=CCNCO[P+](=O)O
InChIInChI=1S/C4H8NO3P/c1-2-3-5-4-8-9(6)7/h2,5H,1,3-4H2/p+1
InChIKeyMORWZHHCKAUDFO-UHFFFAOYSA-O
XLogP0.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium (CID 88700386) is hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium is C=CCNCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium?
The InChIKey is MORWZHHCKAUDFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8NO3P/c1-2-3-5-4-8-9(6)7/h2,5H,1,3-4H2/p+1.
What are the key properties of hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium?
hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium has a molecular weight of 150.09 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium is sourced from PubChem (CID 88700386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).