7,8-dihydro-6H-quinolin-5-one

C9H9NO — CID 3016811

IUPAC7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncccc21
InChIInChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2
InChIKeyYHHBKPWMEXGLKE-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.60
Rot. Bonds

About 7,8-dihydro-6H-quinolin-5-one

7,8-dihydro-6H-quinolin-5-one (PubChem CID 3016811) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name7,8-dihydro-6H-quinolin-5-one
PubChem CID3016811
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncccc21
InChIInChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2
InChIKeyYHHBKPWMEXGLKE-UHFFFAOYSA-N
XLogP1.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 7,8-dihydro-6H-quinolin-5-one (CID 3016811) is 7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2ncccc21.
What is the InChIKey of 7,8-dihydro-6H-quinolin-5-one?
The InChIKey is YHHBKPWMEXGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2.
What are the key properties of 7,8-dihydro-6H-quinolin-5-one?
7,8-dihydro-6H-quinolin-5-one has a molecular weight of 147.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 3016811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).