4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one

C15H22FNO — CID 143465428

IUPAC4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
SMILESC=C1CC(C(/C=C\C)CC/C=C/F)CC(=O)N1C
InChIInChI=1S/C15H22FNO/c1-4-7-13(8-5-6-9-16)14-10-12(2)17(3)15(18)11-14/h4,6-7,9,13-14H,2,5,8,10-11H2,1,3H3/b7-4-,9-6+
InChIKeyHVFXIODKZPWBHW-WCXGJSBASA-N
MW251.34 g/mol
LogP3.82
Rot. Bonds5

About 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one

4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one (PubChem CID 143465428) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
PubChem CID143465428
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
SMILESC=C1CC(C(/C=C\C)CC/C=C/F)CC(=O)N1C
InChIInChI=1S/C15H22FNO/c1-4-7-13(8-5-6-9-16)14-10-12(2)17(3)15(18)11-14/h4,6-7,9,13-14H,2,5,8,10-11H2,1,3H3/b7-4-,9-6+
InChIKeyHVFXIODKZPWBHW-WCXGJSBASA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one with MolForge

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Related Compounds

1-Pentyl-3,4,4a,5-tetrahydroquinolin-2-one
CID 67625949
N-methyl-tetrahydroquinolin-2-one
CID 70054036
N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide
CID 123191665
N-methyl-N-pent-2-en-3-ylcyclohexanecarboxamide
CID 123194156
N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide
CID 123740265
N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide
CID 129120710
1-(2-Methylpropyl)-3,4,4a,5-tetrahydroquinolin-2-one
CID 140974130
(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one
CID 142829757
ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
CID 143465427
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one
CID 154092949
1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one
CID 10081317
4-Methyl-1-propan-2-yl-3,4,4a,5,6,7-hexahydroquinolin-2-one
CID 10081766

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
The IUPAC name of 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one (CID 143465428) is 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one.
What is the SMILES notation for 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
The canonical SMILES for 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one is C=C1CC(C(/C=C\C)CC/C=C/F)CC(=O)N1C.
What is the InChIKey of 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
The InChIKey is HVFXIODKZPWBHW-WCXGJSBASA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-7-13(8-5-6-9-16)14-10-12(2)17(3)15(18)11-14/h4,6-7,9,13-14H,2,5,8,10-11H2,1,3H3/b7-4-,9-6+.
What are the key properties of 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one has a molecular weight of 251.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 143465428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).