dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide

C7H15NO4P+ — CID 19070332

IUPACdihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
SMILESC=C(C)C.C=CC(N)=O.O=[P+](O)O
InChIInChI=1S/C4H8.C3H5NO.HO3P/c1-4(2)3;1-2-3(4)5;1-4(2)3/h1H2,2-3H3;2H,1H2,(H2,4,5);(H-,1,2,3)/p+1
InChIKeyWUSYOKBJBXPNQG-UHFFFAOYSA-O
MW208.17 g/mol
LogP0.87
Rot. Bonds1

About dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide

dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide (PubChem CID 19070332) has the molecular formula C7H15NO4P+ and a molecular weight of 208.17 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
PubChem CID19070332
Molecular FormulaC7H15NO4P+
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Namedihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
SMILESC=C(C)C.C=CC(N)=O.O=[P+](O)O
InChIInChI=1S/C4H8.C3H5NO.HO3P/c1-4(2)3;1-2-3(4)5;1-4(2)3/h1H2,2-3H3;2H,1H2,(H2,4,5);(H-,1,2,3)/p+1
InChIKeyWUSYOKBJBXPNQG-UHFFFAOYSA-O
XLogP0.87
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide?
The IUPAC name of dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide (CID 19070332) is dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide is C=C(C)C.C=CC(N)=O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide?
The InChIKey is WUSYOKBJBXPNQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8.C3H5NO.HO3P/c1-4(2)3;1-2-3(4)5;1-4(2)3/h1H2,2-3H3;2H,1H2,(H2,4,5);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide?
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide has a molecular weight of 208.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide is sourced from PubChem (CID 19070332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).