1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one

C12H21NO — CID 13457870

IUPAC1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
SMILESCCCN1CCCC2CC(=O)CCC21
InChIInChI=1S/C12H21NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h10,12H,2-9H2,1H3
InChIKeyFWHLCAXBTREMQT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds2

About 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one

1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one (PubChem CID 13457870) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one.

Molecular Properties

Compound Name1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
PubChem CID13457870
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
SMILESCCCN1CCCC2CC(=O)CCC21
InChIInChI=1S/C12H21NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h10,12H,2-9H2,1H3
InChIKeyFWHLCAXBTREMQT-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one with MolForge

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Launch Full Analysis

Related Compounds

(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride
CID 11550950
3-(hydroxymethyl)-1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
CID 14552461
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride
CID 70473833
(4aR)-1-propyl-2,3,4,4a,5,6,7,8a-octahydroquinolin-8-one
CID 70450462
(4aS)-1-propyl-2,3,4,4a,5,6,7,8a-octahydroquinolin-8-one
CID 70449555
(4aS,8aS)-5-propyl-1,4,4a,6,7,8,8a,9-octahydro-[1,3]oxazolo[4,5-g]quinolin-2-one
CID 18607411
1-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
CID 13340656
2-(methylsulfanylmethyl)-1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
CID 70441989
(4aR,8aR)-2-bromo-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;hydrochloride
CID 67935523
(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
CID 67935585

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one?
The IUPAC name of 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one (CID 13457870) is 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one.
What is the SMILES notation for 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one?
The canonical SMILES for 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one is CCCN1CCCC2CC(=O)CCC21.
What is the InChIKey of 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one?
The InChIKey is FWHLCAXBTREMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-7-13-8-3-4-10-9-11(14)5-6-12(10)13/h10,12H,2-9H2,1H3.
What are the key properties of 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one?
1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one is sourced from PubChem (CID 13457870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).