methylimino(oxo)methane;2-methylpropan-2-ol

C6H13NO2 — CID 91600333

IUPACmethylimino(oxo)methane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CN=C=O
InChIInChI=1S/C4H10O.C2H3NO/c1-4(2,3)5;1-3-2-4/h5H,1-3H3;1H3
InChIKeyIEXKSIZGENSKDL-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.73
Rot. Bonds

About methylimino(oxo)methane;2-methylpropan-2-ol

methylimino(oxo)methane;2-methylpropan-2-ol (PubChem CID 91600333) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is methylimino(oxo)methane;2-methylpropan-2-ol.

Molecular Properties

Compound Namemethylimino(oxo)methane;2-methylpropan-2-ol
PubChem CID91600333
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namemethylimino(oxo)methane;2-methylpropan-2-ol
SMILESCC(C)(C)O.CN=C=O
InChIInChI=1S/C4H10O.C2H3NO/c1-4(2,3)5;1-3-2-4/h5H,1-3H3;1H3
InChIKeyIEXKSIZGENSKDL-UHFFFAOYSA-N
XLogP0.73
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

methylimino(oxo)methane;N-methylmethanamine
CID 172719912
iodoform;methylimino(oxo)methane
CID 123231601
methylcarbamic acid;methylimino(oxo)methane
CID 161055798
methylimino(oxo)methane;propane-1,2,3-triol
CID 175123227
N-methylcarbamoyl chloride;methylimino(oxo)methane
CID 162155810
tetrakis(2-methylpropan-2-ol);oxomolybdenum
CID 154620441
methane;2-methylpropan-2-ol
CID 157161859
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;titanium(4+)
CID 159912750
2-methylpropan-2-ol;neodymium
CID 154348927
gallane;tris(2-methylpropan-2-ol)
CID 175569744

Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;2-methylpropan-2-ol?
The IUPAC name of methylimino(oxo)methane;2-methylpropan-2-ol (CID 91600333) is methylimino(oxo)methane;2-methylpropan-2-ol.
What is the SMILES notation for methylimino(oxo)methane;2-methylpropan-2-ol?
The canonical SMILES for methylimino(oxo)methane;2-methylpropan-2-ol is CC(C)(C)O.CN=C=O.
What is the InChIKey of methylimino(oxo)methane;2-methylpropan-2-ol?
The InChIKey is IEXKSIZGENSKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H3NO/c1-4(2,3)5;1-3-2-4/h5H,1-3H3;1H3.
What are the key properties of methylimino(oxo)methane;2-methylpropan-2-ol?
methylimino(oxo)methane;2-methylpropan-2-ol has a molecular weight of 131.17 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;2-methylpropan-2-ol is sourced from PubChem (CID 91600333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).