dihydroxy(oxo)phosphanium;propan-2-amine

C3H11NO3P+ — CID 18539686

IUPACdihydroxy(oxo)phosphanium;propan-2-amine
SMILESCC(C)N.O=[P+](O)O
InChIInChI=1S/C3H9N.HO3P/c1-3(2)4;1-4(2)3/h3H,4H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyYTKUZHGTAWGQDO-UHFFFAOYSA-O
MW140.10 g/mol
LogP-0.02
Rot. Bonds

About dihydroxy(oxo)phosphanium;propan-2-amine

dihydroxy(oxo)phosphanium;propan-2-amine (PubChem CID 18539686) has the molecular formula C3H11NO3P+ and a molecular weight of 140.10 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;propan-2-amine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;propan-2-amine
PubChem CID18539686
Molecular FormulaC3H11NO3P+
Molecular Weight140.10 g/mol
Exact Mass140.05
IUPAC Namedihydroxy(oxo)phosphanium;propan-2-amine
SMILESCC(C)N.O=[P+](O)O
InChIInChI=1S/C3H9N.HO3P/c1-3(2)4;1-4(2)3/h3H,4H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyYTKUZHGTAWGQDO-UHFFFAOYSA-O
XLogP-0.02
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;propan-2-amine?
The IUPAC name of dihydroxy(oxo)phosphanium;propan-2-amine (CID 18539686) is dihydroxy(oxo)phosphanium;propan-2-amine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;propan-2-amine?
The canonical SMILES for dihydroxy(oxo)phosphanium;propan-2-amine is CC(C)N.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;propan-2-amine?
The InChIKey is YTKUZHGTAWGQDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.HO3P/c1-3(2)4;1-4(2)3/h3H,4H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;propan-2-amine?
dihydroxy(oxo)phosphanium;propan-2-amine has a molecular weight of 140.10 g/mol, XLogP of -0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;propan-2-amine is sourced from PubChem (CID 18539686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).