methylazanium;propan-1-olate

C4H13NO — CID 178027872

IUPACmethylazanium;propan-1-olate
SMILESCCC[O-].C[NH3+]
InChIInChI=1S/C3H7O.CH5N/c1-2-3-4;1-2/h2-3H2,1H3;2H2,1H3/q-1;/p+1
InChIKeyIEBIPVOLDUHUGV-UHFFFAOYSA-O
MW91.15 g/mol
LogP-1.39
Rot. Bonds1

About methylazanium;propan-1-olate

methylazanium;propan-1-olate (PubChem CID 178027872) has the molecular formula C4H13NO and a molecular weight of 91.15 g/mol. Its IUPAC name is methylazanium;propan-1-olate.

Molecular Properties

Compound Namemethylazanium;propan-1-olate
PubChem CID178027872
Molecular FormulaC4H13NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC Namemethylazanium;propan-1-olate
SMILESCCC[O-].C[NH3+]
InChIInChI=1S/C3H7O.CH5N/c1-2-3-4;1-2/h2-3H2,1H3;2H2,1H3/q-1;/p+1
InChIKeyIEBIPVOLDUHUGV-UHFFFAOYSA-O
XLogP-1.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tris(propan-1-olate);titanium(3+)
CID 57375981
lead(2+);bis(propan-1-olate)
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lutetium(3+);tris(propan-1-olate)
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tetrakis(propan-1-olate);zinc
CID 159306158
bismuth;propan-1-olate;dihydroxide
CID 76962001
magnesium;iron(2+);tetrakis(propan-1-olate)
CID 159973455
calcium;ethanolate;propan-1-olate
CID 156783227
ethanolate;methylazanium
CID 178027876
hydride;propan-1-olate;zirconium(4+);chloride
CID 18688191
chlorotitanium(3+);tris(propan-1-olate)
CID 13026523
indium(3+);propan-1-ol;tris(propan-1-olate)
CID 172808017
CID 22242269
CID 22242269

Frequently Asked Questions

What is the IUPAC name of methylazanium;propan-1-olate?
The IUPAC name of methylazanium;propan-1-olate (CID 178027872) is methylazanium;propan-1-olate.
What is the SMILES notation for methylazanium;propan-1-olate?
The canonical SMILES for methylazanium;propan-1-olate is CCC[O-].C[NH3+].
What is the InChIKey of methylazanium;propan-1-olate?
The InChIKey is IEBIPVOLDUHUGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O.CH5N/c1-2-3-4;1-2/h2-3H2,1H3;2H2,1H3/q-1;/p+1.
What are the key properties of methylazanium;propan-1-olate?
methylazanium;propan-1-olate has a molecular weight of 91.15 g/mol, XLogP of -1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;propan-1-olate is sourced from PubChem (CID 178027872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).