azanium;propan-2-ol;hydroxide;hydrate

C3H15NO3 — CID 19893943

IUPACazanium;propan-2-ol;hydroxide;hydrate
SMILESCC(C)O.O.[NH4+].[OH-]
InChIInChI=1S/C3H8O.H3N.2H2O/c1-3(2)4;;;/h3-4H,1-2H3;1H3;2*1H2
InChIKeyXCFYSTUTBNWXLO-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.24
Rot. Bonds

About azanium;propan-2-ol;hydroxide;hydrate

azanium;propan-2-ol;hydroxide;hydrate (PubChem CID 19893943) has the molecular formula C3H15NO3 and a molecular weight of 113.16 g/mol. Its IUPAC name is azanium;propan-2-ol;hydroxide;hydrate.

Molecular Properties

Compound Nameazanium;propan-2-ol;hydroxide;hydrate
PubChem CID19893943
Molecular FormulaC3H15NO3
Molecular Weight113.16 g/mol
Exact Mass113.11
IUPAC Nameazanium;propan-2-ol;hydroxide;hydrate
SMILESCC(C)O.O.[NH4+].[OH-]
InChIInChI=1S/C3H8O.H3N.2H2O/c1-3(2)4;;;/h3-4H,1-2H3;1H3;2*1H2
InChIKeyXCFYSTUTBNWXLO-UHFFFAOYSA-N
XLogP-0.24
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium;propan-2-ol;hydroxide;hydrate?
The IUPAC name of azanium;propan-2-ol;hydroxide;hydrate (CID 19893943) is azanium;propan-2-ol;hydroxide;hydrate.
What is the SMILES notation for azanium;propan-2-ol;hydroxide;hydrate?
The canonical SMILES for azanium;propan-2-ol;hydroxide;hydrate is CC(C)O.O.[NH4+].[OH-].
What is the InChIKey of azanium;propan-2-ol;hydroxide;hydrate?
The InChIKey is XCFYSTUTBNWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.H3N.2H2O/c1-3(2)4;;;/h3-4H,1-2H3;1H3;2*1H2.
What are the key properties of azanium;propan-2-ol;hydroxide;hydrate?
azanium;propan-2-ol;hydroxide;hydrate has a molecular weight of 113.16 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;propan-2-ol;hydroxide;hydrate is sourced from PubChem (CID 19893943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).