1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C11H13NO2 — CID 15543122

IUPAC1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2CCC1O
InChIInChI=1S/C11H13NO2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-5,11,14H,6-7H2,1H3
InChIKeyPYYMWKANHNXRGV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds

About 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 15543122) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID15543122
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2CCC1O
InChIInChI=1S/C11H13NO2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-5,11,14H,6-7H2,1H3
InChIKeyPYYMWKANHNXRGV-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 15543122) is 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)N1c2ccccc2CCC1O.
What is the InChIKey of 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is PYYMWKANHNXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-5,11,14H,6-7H2,1H3.
What are the key properties of 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 15543122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).