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

C9H9NO — CID 11744777

IUPAC6,7-dihydro-5H-quinolin-8-one
SMILESO=C1CCCc2cccnc21
InChIInChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6H,1,3,5H2
InChIKeyJIAKIQWNYAZUJD-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.60
Rot. Bonds

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

6,7-dihydro-5H-quinolin-8-one (PubChem CID 11744777) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name6,7-dihydro-5H-quinolin-8-one
PubChem CID11744777
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6,7-dihydro-5H-quinolin-8-one
SMILESO=C1CCCc2cccnc21
InChIInChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6H,1,3,5H2
InChIKeyJIAKIQWNYAZUJD-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 6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 6,7-dihydro-5H-quinolin-8-one (CID 11744777) is 6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 6,7-dihydro-5H-quinolin-8-one is O=C1CCCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-quinolin-8-one?
The InChIKey is JIAKIQWNYAZUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6H,1,3,5H2.
What are the key properties of 6,7-dihydro-5H-quinolin-8-one?
6,7-dihydro-5H-quinolin-8-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 6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 11744777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).