ethanolate;methylazanium

C3H11NO — CID 178027876

IUPACethanolate;methylazanium
SMILESCC[O-].C[NH3+]
InChIInChI=1S/C2H5O.CH5N/c1-2-3;1-2/h2H2,1H3;2H2,1H3/q-1;/p+1
InChIKeyZVFIRAMWAXAMFI-UHFFFAOYSA-O
MW77.13 g/mol
LogP-1.78
Rot. Bonds

About ethanolate;methylazanium

ethanolate;methylazanium (PubChem CID 178027876) has the molecular formula C3H11NO and a molecular weight of 77.13 g/mol. Its IUPAC name is ethanolate;methylazanium.

Molecular Properties

Compound Nameethanolate;methylazanium
PubChem CID178027876
Molecular FormulaC3H11NO
Molecular Weight77.13 g/mol
Exact Mass77.08
IUPAC Nameethanolate;methylazanium
SMILESCC[O-].C[NH3+]
InChIInChI=1S/C2H5O.CH5N/c1-2-3;1-2/h2H2,1H3;2H2,1H3/q-1;/p+1
InChIKeyZVFIRAMWAXAMFI-UHFFFAOYSA-O
XLogP-1.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.13
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102346066
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CID 174314145

Frequently Asked Questions

What is the IUPAC name of ethanolate;methylazanium?
The IUPAC name of ethanolate;methylazanium (CID 178027876) is ethanolate;methylazanium.
What is the SMILES notation for ethanolate;methylazanium?
The canonical SMILES for ethanolate;methylazanium is CC[O-].C[NH3+].
What is the InChIKey of ethanolate;methylazanium?
The InChIKey is ZVFIRAMWAXAMFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O.CH5N/c1-2-3;1-2/h2H2,1H3;2H2,1H3/q-1;/p+1.
What are the key properties of ethanolate;methylazanium?
ethanolate;methylazanium has a molecular weight of 77.13 g/mol, XLogP of -1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;methylazanium is sourced from PubChem (CID 178027876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).