4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one

C15H24FNO — CID 123513234

IUPAC4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
SMILESCC1CCCC2NC(=O)C=C(CCCCCF)C12
InChIInChI=1S/C15H24FNO/c1-11-6-5-8-13-15(11)12(10-14(18)17-13)7-3-2-4-9-16/h10-11,13,15H,2-9H2,1H3,(H,17,18)
InChIKeyXQWLWAMXIHPFKT-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.38
Rot. Bonds5

About 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one

4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one (PubChem CID 123513234) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
PubChem CID123513234
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
SMILESCC1CCCC2NC(=O)C=C(CCCCCF)C12
InChIInChI=1S/C15H24FNO/c1-11-6-5-8-13-15(11)12(10-14(18)17-13)7-3-2-4-9-16/h10-11,13,15H,2-9H2,1H3,(H,17,18)
InChIKeyXQWLWAMXIHPFKT-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
The IUPAC name of 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one (CID 123513234) is 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
The canonical SMILES for 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one is CC1CCCC2NC(=O)C=C(CCCCCF)C12.
What is the InChIKey of 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
The InChIKey is XQWLWAMXIHPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11-6-5-8-13-15(11)12(10-14(18)17-13)7-3-2-4-9-16/h10-11,13,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one?
4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one has a molecular weight of 253.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentyl)-5-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one is sourced from PubChem (CID 123513234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).