[methyl(propan-2-yloxy)phosphoryl]formohydrazide

C5H13N2O3P — CID 11864188

IUPAC[methyl(propan-2-yloxy)phosphoryl]formohydrazide
SMILESCC(C)O[P@](C)(=O)C(=O)NN
InChIInChI=1S/C5H13N2O3P/c1-4(2)10-11(3,9)5(8)7-6/h4H,6H2,1-3H3,(H,7,8)/t11-/m0/s1
InChIKeyVWBPXVCDEYYFBQ-NSHDSACASA-N
MW180.14 g/mol
LogP0.90
Rot. Bonds3

About [methyl(propan-2-yloxy)phosphoryl]formohydrazide

[methyl(propan-2-yloxy)phosphoryl]formohydrazide (PubChem CID 11864188) has the molecular formula C5H13N2O3P and a molecular weight of 180.14 g/mol. Its IUPAC name is [methyl(propan-2-yloxy)phosphoryl]formohydrazide.

Molecular Properties

Compound Name[methyl(propan-2-yloxy)phosphoryl]formohydrazide
PubChem CID11864188
Molecular FormulaC5H13N2O3P
Molecular Weight180.14 g/mol
Exact Mass180.07
IUPAC Name[methyl(propan-2-yloxy)phosphoryl]formohydrazide
SMILESCC(C)O[P@](C)(=O)C(=O)NN
InChIInChI=1S/C5H13N2O3P/c1-4(2)10-11(3,9)5(8)7-6/h4H,6H2,1-3H3,(H,7,8)/t11-/m0/s1
InChIKeyVWBPXVCDEYYFBQ-NSHDSACASA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-diaminourea;propan-2-yl dihydrogen phosphate
CID 162135327
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
CID 122697840
2-dimethylphosphoryloxypropane
CID 12572720
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672
CID 175885039
CID 175885039
dimethylphosphoryl 2-methylpropanoate
CID 87754367
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
CID 175183070
(2S)-2-amino-1-[amino(propan-2-yloxy)phosphoryl]propan-1-one
CID 91473852
(2R)-2-[di(propan-2-yloxy)phosphorylamino]propan-1-ol
CID 164776106
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
CID 19875564

Frequently Asked Questions

What is the IUPAC name of [methyl(propan-2-yloxy)phosphoryl]formohydrazide?
The IUPAC name of [methyl(propan-2-yloxy)phosphoryl]formohydrazide (CID 11864188) is [methyl(propan-2-yloxy)phosphoryl]formohydrazide.
What is the SMILES notation for [methyl(propan-2-yloxy)phosphoryl]formohydrazide?
The canonical SMILES for [methyl(propan-2-yloxy)phosphoryl]formohydrazide is CC(C)O[P@](C)(=O)C(=O)NN.
What is the InChIKey of [methyl(propan-2-yloxy)phosphoryl]formohydrazide?
The InChIKey is VWBPXVCDEYYFBQ-NSHDSACASA-N. The full InChI is InChI=1S/C5H13N2O3P/c1-4(2)10-11(3,9)5(8)7-6/h4H,6H2,1-3H3,(H,7,8)/t11-/m0/s1.
What are the key properties of [methyl(propan-2-yloxy)phosphoryl]formohydrazide?
[methyl(propan-2-yloxy)phosphoryl]formohydrazide has a molecular weight of 180.14 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propan-2-yloxy)phosphoryl]formohydrazide is sourced from PubChem (CID 11864188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).