2,3,4,5,6,7-hexahydro-1H-quinolin-8-one

C9H13NO — CID 13268285

IUPAC2,3,4,5,6,7-hexahydro-1H-quinolin-8-one
SMILESO=C1CCCC2=C1NCCC2
InChIInChI=1S/C9H13NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h10H,1-6H2
InChIKeyAEJKJXMAGSPFGN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.38
Rot. Bonds

About 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one

2,3,4,5,6,7-hexahydro-1H-quinolin-8-one (PubChem CID 13268285) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydro-1H-quinolin-8-one
PubChem CID13268285
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,3,4,5,6,7-hexahydro-1H-quinolin-8-one
SMILESO=C1CCCC2=C1NCCC2
InChIInChI=1S/C9H13NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h10H,1-6H2
InChIKeyAEJKJXMAGSPFGN-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one?
The IUPAC name of 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one (CID 13268285) is 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one.
What is the SMILES notation for 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one?
The canonical SMILES for 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one is O=C1CCCC2=C1NCCC2.
What is the InChIKey of 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one?
The InChIKey is AEJKJXMAGSPFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h10H,1-6H2.
What are the key properties of 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one?
2,3,4,5,6,7-hexahydro-1H-quinolin-8-one has a molecular weight of 151.21 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydro-1H-quinolin-8-one is sourced from PubChem (CID 13268285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).