5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

C11H16N2O2 — CID 79356056

IUPAC5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC2CCCO2)cc1N
InChIInChI=1S/C11H16N2O2/c1-8-5-11(14)13(7-10(8)12)6-9-3-2-4-15-9/h5,7,9H,2-4,6,12H2,1H3
InChIKeyCQZLIXOGVVHTGK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds2

About 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 79356056) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID79356056
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC2CCCO2)cc1N
InChIInChI=1S/C11H16N2O2/c1-8-5-11(14)13(7-10(8)12)6-9-3-2-4-15-9/h5,7,9H,2-4,6,12H2,1H3
InChIKeyCQZLIXOGVVHTGK-UHFFFAOYSA-N
XLogP0.92
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(cyclopentylmethyl)-4-methylpyridin-2-one
CID 79355013
5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
CID 102897974
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
methyl 4-amino-1-(oxolan-2-ylmethyl)pyrrole-2-carboxylate
CID 61293123
5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
CID 79355230
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
5-amino-3-bromo-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 80501981
5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 79356056) is 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is Cc1cc(=O)n(CC2CCCO2)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is CQZLIXOGVVHTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-5-11(14)13(7-10(8)12)6-9-3-2-4-15-9/h5,7,9H,2-4,6,12H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 79356056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).