5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one

C10H11NO2 — CID 84655921

IUPAC5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(CO)cccc2N1
InChIInChI=1S/C10H11NO2/c12-6-7-2-1-3-9-8(7)4-5-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
InChIKeyFVKYMVNSXMWVOB-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.06
Rot. Bonds1

About 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one

5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84655921) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID84655921
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(CO)cccc2N1
InChIInChI=1S/C10H11NO2/c12-6-7-2-1-3-9-8(7)4-5-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
InChIKeyFVKYMVNSXMWVOB-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 117291601
1-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)cyclopentane-1-carboxylic acid
CID 117401838
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
6-hydroxy-5,7-bis(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 22095461
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457
5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70399576
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
CID 168517670
5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 13236332
5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
CID 130038964
4-(hydroxymethyl)-1H-indole-2,3-dione
CID 69380666
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
CID 84766189

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one (CID 84655921) is 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(CO)cccc2N1.
What is the InChIKey of 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FVKYMVNSXMWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-7-2-1-3-9-8(7)4-5-10(13)11-9/h1-3,12H,4-6H2,(H,11,13).
What are the key properties of 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84655921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).