3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one

C12H18N2O2 — CID 116521766

IUPAC3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one
SMILESCC1(C)CCC(Cn2cccc(N)c2=O)O1
InChIInChI=1S/C12H18N2O2/c1-12(2)6-5-9(16-12)8-14-7-3-4-10(13)11(14)15/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyMGLKMZFFYLUVBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds2

About 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one

3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one (PubChem CID 116521766) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one
PubChem CID116521766
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one
SMILESCC1(C)CCC(Cn2cccc(N)c2=O)O1
InChIInChI=1S/C12H18N2O2/c1-12(2)6-5-9(16-12)8-14-7-3-4-10(13)11(14)15/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyMGLKMZFFYLUVBN-UHFFFAOYSA-N
XLogP1.39
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 116523943
1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116524108
3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 116622773
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]aniline
CID 116522202
3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
CID 66365093
3-[(5,5-dimethyloxolan-2-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 116523189
2-[(5,5-dimethyloxolan-2-yl)methylsulfinyl]aniline
CID 116523298
1-[(5,5-dimethyloxolan-2-yl)methyl]indole-6-carbothioamide
CID 107917461
5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116619600
1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrole-3-carboxylic acid
CID 116522342
1-[(5,5-dimethyloxolan-2-yl)methyl]-6-nitroindole
CID 116621009

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one (CID 116521766) is 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one is CC1(C)CCC(Cn2cccc(N)c2=O)O1.
What is the InChIKey of 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one?
The InChIKey is MGLKMZFFYLUVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2)6-5-9(16-12)8-14-7-3-4-10(13)11(14)15/h3-4,7,9H,5-6,8,13H2,1-2H3.
What are the key properties of 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one?
3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 116521766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).