3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one

C8H12N2O — CID 7063844

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CN)c(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)
InChIKeyPCJPGNCABBDNJU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.45
Rot. Bonds1

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 7063844) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID7063844
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CN)c(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)
InChIKeyPCJPGNCABBDNJU-UHFFFAOYSA-N
XLogP0.45
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one (CID 7063844) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is PCJPGNCABBDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 7063844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).