3-amino-1-tert-butylpyridin-2-one

C9H14N2O — CID 105433178

IUPAC3-amino-1-tert-butylpyridin-2-one
SMILESCC(C)(C)n1cccc(N)c1=O
InChIInChI=1S/C9H14N2O/c1-9(2,3)11-6-4-5-7(10)8(11)12/h4-6H,10H2,1-3H3
InChIKeyWNYVQLCQPNUYET-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.19
Rot. Bonds

About 3-amino-1-tert-butylpyridin-2-one

3-amino-1-tert-butylpyridin-2-one (PubChem CID 105433178) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-1-tert-butylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-tert-butylpyridin-2-one
PubChem CID105433178
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-1-tert-butylpyridin-2-one
SMILESCC(C)(C)n1cccc(N)c1=O
InChIInChI=1S/C9H14N2O/c1-9(2,3)11-6-4-5-7(10)8(11)12/h4-6H,10H2,1-3H3
InChIKeyWNYVQLCQPNUYET-UHFFFAOYSA-N
XLogP1.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-1-(1-methylethyl)-2(1H)-pyridinone
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-tert-butylpyridin-2-one?
The IUPAC name of 3-amino-1-tert-butylpyridin-2-one (CID 105433178) is 3-amino-1-tert-butylpyridin-2-one.
What is the SMILES notation for 3-amino-1-tert-butylpyridin-2-one?
The canonical SMILES for 3-amino-1-tert-butylpyridin-2-one is CC(C)(C)n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-tert-butylpyridin-2-one?
The InChIKey is WNYVQLCQPNUYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)11-6-4-5-7(10)8(11)12/h4-6H,10H2,1-3H3.
What are the key properties of 3-amino-1-tert-butylpyridin-2-one?
3-amino-1-tert-butylpyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-tert-butylpyridin-2-one is sourced from PubChem (CID 105433178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).