5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one

C7H11NO2 — CID 117273315

IUPAC5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one
SMILESCN1C=C(CO)CCC1=O
InChIInChI=1S/C7H11NO2/c1-8-4-6(5-9)2-3-7(8)10/h4,9H,2-3,5H2,1H3
InChIKeyDOHPYZSVHCGYPQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.11
Rot. Bonds1

About 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one

5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one (PubChem CID 117273315) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one
PubChem CID117273315
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one
SMILESCN1C=C(CO)CCC1=O
InChIInChI=1S/C7H11NO2/c1-8-4-6(5-9)2-3-7(8)10/h4,9H,2-3,5H2,1H3
InChIKeyDOHPYZSVHCGYPQ-UHFFFAOYSA-N
XLogP0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(trifluoromethyl)-3,4-dihydropyridin-2-one
CID 162568387
4-ethyl-1-methyl-3H-pyrrol-2-one
CID 171490718
4-butyl-1-methyl-3H-pyrrol-2-one
CID 171490713
[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten
CID 58467520
7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
CID 68605458
2-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undeca-1,9-dien-3-one
CID 162815203
(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
CID 130735003
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one
CID 142983641
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one (CID 117273315) is 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one is CN1C=C(CO)CCC1=O.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one?
The InChIKey is DOHPYZSVHCGYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-4-6(5-9)2-3-7(8)10/h4,9H,2-3,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one?
5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 117273315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).