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

C11H16N2O — CID 105446447

IUPAC3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one
SMILESCn1c(C2CCC2)ccc(CN)c1=O
InChIInChI=1S/C11H16N2O/c1-13-10(8-3-2-4-8)6-5-9(7-12)11(13)14/h5-6,8H,2-4,7,12H2,1H3
InChIKeyYXQVRNZRDVNFNT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.11
Rot. Bonds2

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

3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one (PubChem CID 105446447) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one
PubChem CID105446447
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one
SMILESCn1c(C2CCC2)ccc(CN)c1=O
InChIInChI=1S/C11H16N2O/c1-13-10(8-3-2-4-8)6-5-9(7-12)11(13)14/h5-6,8H,2-4,7,12H2,1H3
InChIKeyYXQVRNZRDVNFNT-UHFFFAOYSA-N
XLogP1.11
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one (CID 105446447) is 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one is Cn1c(C2CCC2)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one?
The InChIKey is YXQVRNZRDVNFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-10(8-3-2-4-8)6-5-9(7-12)11(13)14/h5-6,8H,2-4,7,12H2,1H3.
What are the key properties of 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one?
3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-cyclobutyl-1-methylpyridin-2-one is sourced from PubChem (CID 105446447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).