5,6,7,8-tetrahydro-3H-quinolin-4-one

C9H11NO — CID 91579652

IUPAC5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESO=C1CC=NC2=C1CCCC2
InChIInChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h6H,1-5H2
InChIKeyAEONYNAYGODRPA-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.86
Rot. Bonds

About 5,6,7,8-tetrahydro-3H-quinolin-4-one

5,6,7,8-tetrahydro-3H-quinolin-4-one (PubChem CID 91579652) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-quinolin-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-quinolin-4-one
PubChem CID91579652
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESO=C1CC=NC2=C1CCCC2
InChIInChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h6H,1-5H2
InChIKeyAEONYNAYGODRPA-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-quinolin-4-one?
The IUPAC name of 5,6,7,8-tetrahydro-3H-quinolin-4-one (CID 91579652) is 5,6,7,8-tetrahydro-3H-quinolin-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-quinolin-4-one?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-quinolin-4-one is O=C1CC=NC2=C1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-quinolin-4-one?
The InChIKey is AEONYNAYGODRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h6H,1-5H2.
What are the key properties of 5,6,7,8-tetrahydro-3H-quinolin-4-one?
5,6,7,8-tetrahydro-3H-quinolin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-quinolin-4-one is sourced from PubChem (CID 91579652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).