3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one

C8H12N2O2 — CID 130120273

IUPAC3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one
SMILESCOC1=CC(C)=NC(=O)C1CN
InChIInChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3,6H,4,9H2,1-2H3
InChIKeyWVWNGNQAHWFCMN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.09
Rot. Bonds2

About 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one

3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one (PubChem CID 130120273) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one
PubChem CID130120273
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one
SMILESCOC1=CC(C)=NC(=O)C1CN
InChIInChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3,6H,4,9H2,1-2H3
InChIKeyWVWNGNQAHWFCMN-UHFFFAOYSA-N
XLogP0.09
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one (CID 130120273) is 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one is COC1=CC(C)=NC(=O)C1CN.
What is the InChIKey of 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one?
The InChIKey is WVWNGNQAHWFCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3,6H,4,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one?
3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one is sourced from PubChem (CID 130120273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).