1-(4a,8a-dihydroquinolin-2-yl)ethanone

C11H11NO — CID 143408622

IUPAC1-(4a,8a-dihydroquinolin-2-yl)ethanone
SMILESCC(=O)C1=NC2C=CC=CC2C=C1
InChIInChI=1S/C11H11NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-7,9,11H,1H3
InChIKeyDDUXMQCKNSFVLS-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.70
Rot. Bonds1

About 1-(4a,8a-dihydroquinolin-2-yl)ethanone

1-(4a,8a-dihydroquinolin-2-yl)ethanone (PubChem CID 143408622) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(4a,8a-dihydroquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4a,8a-dihydroquinolin-2-yl)ethanone
PubChem CID143408622
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(4a,8a-dihydroquinolin-2-yl)ethanone
SMILESCC(=O)C1=NC2C=CC=CC2C=C1
InChIInChI=1S/C11H11NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-7,9,11H,1H3
InChIKeyDDUXMQCKNSFVLS-UHFFFAOYSA-N
XLogP1.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4a,8a-dihydroquinoline
CID 153000333
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
N-[2-[5-(propylaminomethyl)-5,6-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclohexa-2,4-dien-1-yl]-4a,8a-dihydroquinoline-2-carboxamide
CID 143408606
4a,8a-dihydroquinoline
CID 90908791
(3-cyclopenta-2,4-dien-1-ylcyclohepta-1,4,6-trien-1-yl) acetate
CID 134888041
ethane;7-methyl-4a,8a-dihydroquinoxaline-2-carboxamide
CID 145449190
bis(1-cyclopenta-2,4-dien-1-ylethanone);iron
CID 176507815
4a,8a-dihydronaphthalene-2-carbaldehyde
CID 45083972
3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid
CID 89077052
1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 130027554
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
1-(6-acetyl-2,5-dimethylcyclohex-3-en-1-yl)ethanone
CID 59435106

Frequently Asked Questions

What is the IUPAC name of 1-(4a,8a-dihydroquinolin-2-yl)ethanone?
The IUPAC name of 1-(4a,8a-dihydroquinolin-2-yl)ethanone (CID 143408622) is 1-(4a,8a-dihydroquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(4a,8a-dihydroquinolin-2-yl)ethanone?
The canonical SMILES for 1-(4a,8a-dihydroquinolin-2-yl)ethanone is CC(=O)C1=NC2C=CC=CC2C=C1.
What is the InChIKey of 1-(4a,8a-dihydroquinolin-2-yl)ethanone?
The InChIKey is DDUXMQCKNSFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-7,9,11H,1H3.
What are the key properties of 1-(4a,8a-dihydroquinolin-2-yl)ethanone?
1-(4a,8a-dihydroquinolin-2-yl)ethanone has a molecular weight of 173.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4a,8a-dihydroquinolin-2-yl)ethanone is sourced from PubChem (CID 143408622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).