3-(aminomethyl)-5-methyl-1H-pyridin-2-one

C7H10N2O — CID 62652428

IUPAC3-(aminomethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CN)c1
InChIInChI=1S/C7H10N2O/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,3,8H2,1H3,(H,9,10)
InChIKeyKHFUKIQTEKCDAF-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.14
Rot. Bonds1

About 3-(aminomethyl)-5-methyl-1H-pyridin-2-one

3-(aminomethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 62652428) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-1H-pyridin-2-one
PubChem CID62652428
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-(aminomethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CN)c1
InChIInChI=1S/C7H10N2O/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,3,8H2,1H3,(H,9,10)
InChIKeyKHFUKIQTEKCDAF-UHFFFAOYSA-N
XLogP0.14
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-1H-pyridin-2-one (CID 62652428) is 3-(aminomethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is KHFUKIQTEKCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-2-6(3-8)7(10)9-4-5/h2,4H,3,8H2,1H3,(H,9,10).
What are the key properties of 3-(aminomethyl)-5-methyl-1H-pyridin-2-one?
3-(aminomethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 62652428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).