2-(1-amino-2-methylpropyl)-1H-pyridin-4-one

C9H14N2O — CID 130000243

IUPAC2-(1-amino-2-methylpropyl)-1H-pyridin-4-one
SMILESCC(C)C(N)c1cc(=O)cc[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)9(10)8-5-7(12)3-4-11-8/h3-6,9H,10H2,1-2H3,(H,11,12)
InChIKeyGQOZKXXIQJZCJW-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.03
Rot. Bonds2

About 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one

2-(1-amino-2-methylpropyl)-1H-pyridin-4-one (PubChem CID 130000243) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-1H-pyridin-4-one
PubChem CID130000243
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(1-amino-2-methylpropyl)-1H-pyridin-4-one
SMILESCC(C)C(N)c1cc(=O)cc[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)9(10)8-5-7(12)3-4-11-8/h3-6,9H,10H2,1-2H3,(H,11,12)
InChIKeyGQOZKXXIQJZCJW-UHFFFAOYSA-N
XLogP1.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one?
The IUPAC name of 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one (CID 130000243) is 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one is CC(C)C(N)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one?
The InChIKey is GQOZKXXIQJZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9(10)8-5-7(12)3-4-11-8/h3-6,9H,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one?
2-(1-amino-2-methylpropyl)-1H-pyridin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-1H-pyridin-4-one is sourced from PubChem (CID 130000243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).