1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one

C19H31NO — CID 154092949

IUPAC1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCCC2CC=CC=C21
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-15-19(21)20-16-11-13-17-12-9-10-14-18(17)20/h9-10,14,17H,2-8,11-13,15-16H2,1H3
InChIKeyAMWNSBCUUCDBMS-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.21
Rot. Bonds8

About 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one

1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one (PubChem CID 154092949) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one
PubChem CID154092949
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCCC2CC=CC=C21
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-15-19(21)20-16-11-13-17-12-9-10-14-18(17)20/h9-10,14,17H,2-8,11-13,15-16H2,1H3
InChIKeyAMWNSBCUUCDBMS-UHFFFAOYSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

n-Acetyltetrahydroquinoline
CID 69159448
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CID 70607554
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CID 70852566
13a,14,14a,14b-tetrahydro-9aH-isoquinolino[3,2-a][2]benzazepin-9-one
CID 123883569
N-oleoyl-4-ethylpiperidine
CID 129727935
N-oleoyl-4-propylpiperidine
CID 129727964
N-oleoyl-3-methylpiperidine
CID 129727979
N-acetyl-tetrahydro-4-oxoquinoline
CID 129789139
4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
CID 143465428
(4aR,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 14526647
(4aS,8aS)-1-methyl-3,4,4a,7,8,8a-hexahydroquinolin-2-one
CID 131871786
(4aS)-1,4a-dimethyl-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 14414784

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one?
The IUPAC name of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one (CID 154092949) is 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one.
What is the SMILES notation for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one?
The canonical SMILES for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one is CCCCCCCCCC(=O)N1CCCC2CC=CC=C21.
What is the InChIKey of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one?
The InChIKey is AMWNSBCUUCDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-15-19(21)20-16-11-13-17-12-9-10-14-18(17)20/h9-10,14,17H,2-8,11-13,15-16H2,1H3.
What are the key properties of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one?
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one has a molecular weight of 289.46 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one is sourced from PubChem (CID 154092949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).