3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one

C12H18N2O — CID 107073150

IUPAC3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CCC1CC1
InChIInChI=1S/C12H18N2O/c1-9-2-5-11(8-13)12(15)14(9)7-6-10-3-4-10/h2,5,10H,3-4,6-8,13H2,1H3
InChIKeyZAGNZXZCDMHYIF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.42
Rot. Bonds4

About 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one

3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one (PubChem CID 107073150) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one
PubChem CID107073150
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CCC1CC1
InChIInChI=1S/C12H18N2O/c1-9-2-5-11(8-13)12(15)14(9)7-6-10-3-4-10/h2,5,10H,3-4,6-8,13H2,1H3
InChIKeyZAGNZXZCDMHYIF-UHFFFAOYSA-N
XLogP1.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one (CID 107073150) is 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one is Cc1ccc(CN)c(=O)n1CCC1CC1.
What is the InChIKey of 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one?
The InChIKey is ZAGNZXZCDMHYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-2-5-11(8-13)12(15)14(9)7-6-10-3-4-10/h2,5,10H,3-4,6-8,13H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one?
3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-cyclopropylethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 107073150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).