hydroxy-oxo-(propylamino)phosphanium

C3H9NO2P+ — CID 146036789

IUPAChydroxy-oxo-(propylamino)phosphanium
SMILESCCCN[P+](=O)O
InChIInChI=1S/C3H8NO2P/c1-2-3-4-7(5)6/h2-3H2,1H3,(H-,4,5,6)/p+1
InChIKeyUCQKEPYPVUHBOP-UHFFFAOYSA-O
MW122.08 g/mol
LogP0.64
Rot. Bonds3

About hydroxy-oxo-(propylamino)phosphanium

hydroxy-oxo-(propylamino)phosphanium (PubChem CID 146036789) has the molecular formula C3H9NO2P+ and a molecular weight of 122.08 g/mol. Its IUPAC name is hydroxy-oxo-(propylamino)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(propylamino)phosphanium
PubChem CID146036789
Molecular FormulaC3H9NO2P+
Molecular Weight122.08 g/mol
Exact Mass122.04
IUPAC Namehydroxy-oxo-(propylamino)phosphanium
SMILESCCCN[P+](=O)O
InChIInChI=1S/C3H8NO2P/c1-2-3-4-7(5)6/h2-3H2,1H3,(H-,4,5,6)/p+1
InChIKeyUCQKEPYPVUHBOP-UHFFFAOYSA-O
XLogP0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(propylamino)phosphanium?
The IUPAC name of hydroxy-oxo-(propylamino)phosphanium (CID 146036789) is hydroxy-oxo-(propylamino)phosphanium.
What is the SMILES notation for hydroxy-oxo-(propylamino)phosphanium?
The canonical SMILES for hydroxy-oxo-(propylamino)phosphanium is CCCN[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(propylamino)phosphanium?
The InChIKey is UCQKEPYPVUHBOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8NO2P/c1-2-3-4-7(5)6/h2-3H2,1H3,(H-,4,5,6)/p+1.
What are the key properties of hydroxy-oxo-(propylamino)phosphanium?
hydroxy-oxo-(propylamino)phosphanium has a molecular weight of 122.08 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(propylamino)phosphanium is sourced from PubChem (CID 146036789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).