3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

C11H15NO2 — CID 82112035

IUPAC3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCc2[nH]c(=O)c(CO)cc2C1
InChIInChI=1S/C11H15NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h5,7,13H,2-4,6H2,1H3,(H,12,14)
InChIKeyKKBIYWNSVBJJRR-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds1

About 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82112035) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82112035
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1CCc2[nH]c(=O)c(CO)cc2C1
InChIInChI=1S/C11H15NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h5,7,13H,2-4,6H2,1H3,(H,12,14)
InChIKeyKKBIYWNSVBJJRR-UHFFFAOYSA-N
XLogP0.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82112035) is 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1CCc2[nH]c(=O)c(CO)cc2C1.
What is the InChIKey of 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is KKBIYWNSVBJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h5,7,13H,2-4,6H2,1H3,(H,12,14).
What are the key properties of 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82112035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).