7,8a-dihydro-1H-quinolin-8-one

C9H9NO — CID 19831414

IUPAC7,8a-dihydro-1H-quinolin-8-one
SMILESO=C1CC=CC2=CC=CNC12
InChIInChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-4,6,9-10H,5H2
InChIKeyYGOOWIYUFGYUTM-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.93
Rot. Bonds

About 7,8a-dihydro-1H-quinolin-8-one

7,8a-dihydro-1H-quinolin-8-one (PubChem CID 19831414) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 7,8a-dihydro-1H-quinolin-8-one.

Molecular Properties

Compound Name7,8a-dihydro-1H-quinolin-8-one
PubChem CID19831414
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name7,8a-dihydro-1H-quinolin-8-one
SMILESO=C1CC=CC2=CC=CNC12
InChIInChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-4,6,9-10H,5H2
InChIKeyYGOOWIYUFGYUTM-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8a-dihydro-1H-quinolin-8-one?
The IUPAC name of 7,8a-dihydro-1H-quinolin-8-one (CID 19831414) is 7,8a-dihydro-1H-quinolin-8-one.
What is the SMILES notation for 7,8a-dihydro-1H-quinolin-8-one?
The canonical SMILES for 7,8a-dihydro-1H-quinolin-8-one is O=C1CC=CC2=CC=CNC12.
What is the InChIKey of 7,8a-dihydro-1H-quinolin-8-one?
The InChIKey is YGOOWIYUFGYUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-4,6,9-10H,5H2.
What are the key properties of 7,8a-dihydro-1H-quinolin-8-one?
7,8a-dihydro-1H-quinolin-8-one has a molecular weight of 147.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dihydro-1H-quinolin-8-one is sourced from PubChem (CID 19831414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).