3-(hydroxymethyl)-1H-quinolin-2-one

C10H9NO2 — CID 2764578

IUPAC3-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CO
InChIInChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
InChIKeyVHJYMYGHHCHEDA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.02
Rot. Bonds1

About 3-(hydroxymethyl)-1H-quinolin-2-one

3-(hydroxymethyl)-1H-quinolin-2-one (PubChem CID 2764578) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1H-quinolin-2-one
PubChem CID2764578
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CO
InChIInChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
InChIKeyVHJYMYGHHCHEDA-UHFFFAOYSA-N
XLogP1.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1H-quinolin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1H-quinolin-2-one (CID 2764578) is 3-(hydroxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CO.
What is the InChIKey of 3-(hydroxymethyl)-1H-quinolin-2-one?
The InChIKey is VHJYMYGHHCHEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13).
What are the key properties of 3-(hydroxymethyl)-1H-quinolin-2-one?
3-(hydroxymethyl)-1H-quinolin-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 2764578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).