4-(aminomethyl)-1-methylpyridin-2-one

C7H10N2O — CID 22061287

IUPAC4-(aminomethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CN)cc1=O
InChIInChI=1S/C7H10N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5,8H2,1H3
InChIKeyATKAUYDNXOBHBV-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.16
Rot. Bonds1

About 4-(aminomethyl)-1-methylpyridin-2-one

4-(aminomethyl)-1-methylpyridin-2-one (PubChem CID 22061287) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-methylpyridin-2-one
PubChem CID22061287
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-(aminomethyl)-1-methylpyridin-2-one
SMILESCn1ccc(CN)cc1=O
InChIInChI=1S/C7H10N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5,8H2,1H3
InChIKeyATKAUYDNXOBHBV-UHFFFAOYSA-N
XLogP-0.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(aminomethyl)-1-methylpyridin-2-one (CID 22061287) is 4-(aminomethyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-methylpyridin-2-one is Cn1ccc(CN)cc1=O.
What is the InChIKey of 4-(aminomethyl)-1-methylpyridin-2-one?
The InChIKey is ATKAUYDNXOBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5,8H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methylpyridin-2-one?
4-(aminomethyl)-1-methylpyridin-2-one has a molecular weight of 138.17 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methylpyridin-2-one is sourced from PubChem (CID 22061287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).