3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one

C9H14N2O — CID 20774830

IUPAC3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(CN)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)
InChIKeyVRISOZSNRQYQDS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.96
Rot. Bonds2

About 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one

3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 20774830) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID20774830
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(CN)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,5,10H2,1-2H3,(H,11,12)
InChIKeyVRISOZSNRQYQDS-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one (CID 20774830) is 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VRISOZSNRQYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one?
3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 20774830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).