1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one

C12H17NO — CID 58715561

IUPAC1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
SMILESCC(C)N1CCC(=O)C2=C1CCC=C2
InChIInChI=1S/C12H17NO/c1-9(2)13-8-7-12(14)10-5-3-4-6-11(10)13/h3,5,9H,4,6-8H2,1-2H3
InChIKeyNQSGTSJAPZDIAM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.27
Rot. Bonds1

About 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one

1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one (PubChem CID 58715561) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
PubChem CID58715561
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
SMILESCC(C)N1CCC(=O)C2=C1CCC=C2
InChIInChI=1S/C12H17NO/c1-9(2)13-8-7-12(14)10-5-3-4-6-11(10)13/h3,5,9H,4,6-8H2,1-2H3
InChIKeyNQSGTSJAPZDIAM-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-Trimethyl-1H-quinolin-5-one
CID 4051920
1-(5-Methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone
CID 91664957
1,2,6-Trimethyl-3,5-diacetyl-1,2-dihydropyridine
CID 129785730
(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960675
(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134969292
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
1-Cyclohexyl-6-methyl-2,3-dihydropyridin-4-one
CID 121015093
1-(5,6-dihydro-1H-isoquinolino[2,1-b]isoquinolin-8-yl)propan-2-one
CID 19353585
1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
CID 20773088
1-Propyl-6,7-dihydroquinolin-5-one
CID 54409466
CID 59094608
CID 59094608
1-Propan-2-yl-2,4,7,8-tetrahydroquinolin-3-one
CID 60067173

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one?
The IUPAC name of 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one (CID 58715561) is 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one.
What is the SMILES notation for 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one?
The canonical SMILES for 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one is CC(C)N1CCC(=O)C2=C1CCC=C2.
What is the InChIKey of 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one?
The InChIKey is NQSGTSJAPZDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)13-8-7-12(14)10-5-3-4-6-11(10)13/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one?
1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one is sourced from PubChem (CID 58715561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).