3,5,6,7-tetrahydro-2H-quinolin-8-one

C9H11NO — CID 89337215

IUPAC3,5,6,7-tetrahydro-2H-quinolin-8-one
SMILESO=C1CCCC2=CCCN=C12
InChIInChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h4H,1-3,5-6H2
InChIKeyGASQYHAHTPKFPQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.51
Rot. Bonds

About 3,5,6,7-tetrahydro-2H-quinolin-8-one

3,5,6,7-tetrahydro-2H-quinolin-8-one (PubChem CID 89337215) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-quinolin-8-one.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-quinolin-8-one
PubChem CID89337215
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,5,6,7-tetrahydro-2H-quinolin-8-one
SMILESO=C1CCCC2=CCCN=C12
InChIInChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h4H,1-3,5-6H2
InChIKeyGASQYHAHTPKFPQ-UHFFFAOYSA-N
XLogP1.51
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydro-2H-quinolin-8-one?
The IUPAC name of 3,5,6,7-tetrahydro-2H-quinolin-8-one (CID 89337215) is 3,5,6,7-tetrahydro-2H-quinolin-8-one.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-quinolin-8-one?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-quinolin-8-one is O=C1CCCC2=CCCN=C12.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-quinolin-8-one?
The InChIKey is GASQYHAHTPKFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h4H,1-3,5-6H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-quinolin-8-one?
3,5,6,7-tetrahydro-2H-quinolin-8-one has a molecular weight of 149.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-quinolin-8-one is sourced from PubChem (CID 89337215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).