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

C9H11NO — CID 123739950

IUPAC3,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESO=C1CCCC2=NCCC=C12
InChIInChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h3H,1-2,4-6H2
InChIKeyALVWSRQEARURQL-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.51
Rot. Bonds

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

3,6,7,8-tetrahydro-2H-quinolin-5-one (PubChem CID 123739950) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-quinolin-5-one.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-quinolin-5-one
PubChem CID123739950
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,6,7,8-tetrahydro-2H-quinolin-5-one
SMILESO=C1CCCC2=NCCC=C12
InChIInChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h3H,1-2,4-6H2
InChIKeyALVWSRQEARURQL-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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Related Compounds

5-Butylimino-4-methylcyclohex-3-ene-1,2-dione
CID 91032762
2,6-Dihydroquinoline-3,5-dione
CID 17930892
5,10a-dihydro-4H-acridin-1-one
CID 57267293
2,5,6,7-Tetrahydroindol-4-one
CID 59252682
3,6-dihydro-2H-quinolin-5-one
CID 67546033
8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione
CID 68575867
3,5,6,7-tetrahydro-2H-quinolin-8-one
CID 89337215
1-(6-Methyl-2,3-dihydropyridin-5-yl)ethanone
CID 89404439
4-methyl-3,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123817138
2-methoxy-3,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123870394
2,3,4,6-Tetrahydrobenzo[d][1]benzazepin-1-one
CID 141979321
5,6,7,8-tetrahydro-2H-quinolin-3-one
CID 153907897

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-quinolin-5-one?
The IUPAC name of 3,6,7,8-tetrahydro-2H-quinolin-5-one (CID 123739950) is 3,6,7,8-tetrahydro-2H-quinolin-5-one.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-quinolin-5-one?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-quinolin-5-one is O=C1CCCC2=NCCC=C12.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-quinolin-5-one?
The InChIKey is ALVWSRQEARURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h3H,1-2,4-6H2.
What are the key properties of 3,6,7,8-tetrahydro-2H-quinolin-5-one?
3,6,7,8-tetrahydro-2H-quinolin-5-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 3,6,7,8-tetrahydro-2H-quinolin-5-one is sourced from PubChem (CID 123739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).