2,2-dimethylpropanoylazanium hydroxide

C5H13NO2 — CID 142809673

IUPAC2,2-dimethylpropanoylazanium hydroxide
SMILESCC(C)(C)C([NH3+])=O.[OH-]
InChIInChI=1S/C5H11NO.H2O/c1-5(2,3)4(6)7;/h1-3H3,(H2,6,7);1H2
InChIKeyBBJNOAJCXNOFBX-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.38
Rot. Bonds

About 2,2-dimethylpropanoylazanium hydroxide

2,2-dimethylpropanoylazanium hydroxide (PubChem CID 142809673) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2,2-dimethylpropanoylazanium hydroxide.

Molecular Properties

Compound Name2,2-dimethylpropanoylazanium hydroxide
PubChem CID142809673
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2,2-dimethylpropanoylazanium hydroxide
SMILESCC(C)(C)C([NH3+])=O.[OH-]
InChIInChI=1S/C5H11NO.H2O/c1-5(2,3)4(6)7;/h1-3H3,(H2,6,7);1H2
InChIKeyBBJNOAJCXNOFBX-UHFFFAOYSA-N
XLogP-0.38
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoylazanium hydroxide?
The IUPAC name of 2,2-dimethylpropanoylazanium hydroxide (CID 142809673) is 2,2-dimethylpropanoylazanium hydroxide.
What is the SMILES notation for 2,2-dimethylpropanoylazanium hydroxide?
The canonical SMILES for 2,2-dimethylpropanoylazanium hydroxide is CC(C)(C)C([NH3+])=O.[OH-].
What is the InChIKey of 2,2-dimethylpropanoylazanium hydroxide?
The InChIKey is BBJNOAJCXNOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H2O/c1-5(2,3)4(6)7;/h1-3H3,(H2,6,7);1H2.
What are the key properties of 2,2-dimethylpropanoylazanium hydroxide?
2,2-dimethylpropanoylazanium hydroxide has a molecular weight of 119.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoylazanium hydroxide is sourced from PubChem (CID 142809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).