1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one

C12H18N2O2 — CID 104747379

IUPAC1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(N)C1CCOC1
InChIInChI=1S/C12H18N2O2/c1-9-3-2-4-12(15)14(9)7-11(13)10-5-6-16-8-10/h2-4,10-11H,5-8,13H2,1H3
InChIKeyFJVXCABMWFMSSK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds3

About 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one

1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one (PubChem CID 104747379) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
PubChem CID104747379
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(N)C1CCOC1
InChIInChI=1S/C12H18N2O2/c1-9-3-2-4-12(15)14(9)7-11(13)10-5-6-16-8-10/h2-4,10-11H,5-8,13H2,1H3
InChIKeyFJVXCABMWFMSSK-UHFFFAOYSA-N
XLogP0.52
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
1-[2-amino-2-(oxolan-3-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 113448371
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747821
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 125439672
2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 104747758
1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 104747699
2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513413
5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 104748144
5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748230
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 104747986

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one (CID 104747379) is 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CC(N)C1CCOC1.
What is the InChIKey of 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one?
The InChIKey is FJVXCABMWFMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-3-2-4-12(15)14(9)7-11(13)10-5-6-16-8-10/h2-4,10-11H,5-8,13H2,1H3.
What are the key properties of 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one?
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 104747379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).