1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

C11H13NO — CID 59090882

IUPAC1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESCC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C11H13NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12-11/h2,4,6,12H,3,5,7H2,1H3
InChIKeyLDDAWBOFYPKSKF-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.25
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 59090882) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID59090882
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESCC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C11H13NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12-11/h2,4,6,12H,3,5,7H2,1H3
InChIKeyLDDAWBOFYPKSKF-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 59090882) is 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is CC(=O)c1cccc2c1CCCN2.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is LDDAWBOFYPKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12-11/h2,4,6,12H,3,5,7H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 59090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).