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

C10H11NO2 — CID 53393348

IUPAC7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CO)cc2N1
InChIInChI=1S/C10H11NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5,12H,3-4,6H2,(H,11,13)
InChIKeyQJVHACDKAXCDGJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.06
Rot. Bonds1

About 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one

7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 53393348) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID53393348
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CO)cc2N1
InChIInChI=1S/C10H11NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5,12H,3-4,6H2,(H,11,13)
InChIKeyQJVHACDKAXCDGJ-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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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one (CID 53393348) is 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(CO)cc2N1.
What is the InChIKey of 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QJVHACDKAXCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5,12H,3-4,6H2,(H,11,13).
What are the key properties of 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one?
7-(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 7-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 53393348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).