1-(3-amino-2-methylpropyl)pyridin-2-one

C9H14N2O — CID 43367681

IUPAC1-(3-amino-2-methylpropyl)pyridin-2-one
SMILESCC(CN)Cn1ccccc1=O
InChIInChI=1S/C9H14N2O/c1-8(6-10)7-11-5-3-2-4-9(11)12/h2-5,8H,6-7,10H2,1H3
InChIKeyICQZNLGUNQKFHC-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.44
Rot. Bonds3

About 1-(3-amino-2-methylpropyl)pyridin-2-one

1-(3-amino-2-methylpropyl)pyridin-2-one (PubChem CID 43367681) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)pyridin-2-one
PubChem CID43367681
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(3-amino-2-methylpropyl)pyridin-2-one
SMILESCC(CN)Cn1ccccc1=O
InChIInChI=1S/C9H14N2O/c1-8(6-10)7-11-5-3-2-4-9(11)12/h2-5,8H,6-7,10H2,1H3
InChIKeyICQZNLGUNQKFHC-UHFFFAOYSA-N
XLogP0.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)pyridin-2-one (CID 43367681) is 1-(3-amino-2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)pyridin-2-one is CC(CN)Cn1ccccc1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)pyridin-2-one?
The InChIKey is ICQZNLGUNQKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(6-10)7-11-5-3-2-4-9(11)12/h2-5,8H,6-7,10H2,1H3.
What are the key properties of 1-(3-amino-2-methylpropyl)pyridin-2-one?
1-(3-amino-2-methylpropyl)pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 43367681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).