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

C17H28FNO — CID 143465427

IUPACethane;4-[(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.CC
InChIInChI=1S/C15H22FNO.C2H6/c1-4-7-13(8-5-6-9-16)14-10-12(2)17(3)15(18)11-14;1-2/h4,6-7,9,13-14H,2,5,8,10-11H2,1,3H3;1-2H3/b7-4-,9-6+;
InChIKeyWZTDEDMRBRGRNA-XEAPTMNZSA-N
MW281.42 g/mol
LogP4.85
Rot. Bonds5

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

ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one (PubChem CID 143465427) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Nameethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
PubChem CID143465427
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Nameethane;4-[(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.CC
InChIInChI=1S/C15H22FNO.C2H6/c1-4-7-13(8-5-6-9-16)14-10-12(2)17(3)15(18)11-14;1-2/h4,6-7,9,13-14H,2,5,8,10-11H2,1,3H3;1-2H3/b7-4-,9-6+;
InChIKeyWZTDEDMRBRGRNA-XEAPTMNZSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one
CID 143465428
(6aR,10bS)-4,7,8,10b-tetramethyl-2,6,6a,7,8,9-hexahydro-1H-benzo[f]quinolin-3-one
CID 53981962
(6aS,10bR)-4,7,8,10b-tetramethyl-2,6,6a,7,8,9-hexahydro-1H-benzo[f]quinolin-3-one
CID 53981963
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
(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one
CID 142829757
N-[3,4-bis[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]-N-methylcyclohexanecarboxamide
CID 143113177
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)decan-1-one
CID 154092949
N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide
CID 163434009
1-(2-methylpropyl)-4,4a,5,6-tetrahydro-3H-cyclopenta[b]pyridin-2-one
CID 10081317

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
The IUPAC name of ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one (CID 143465427) is ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one.
What is the SMILES notation for ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
The InChIKey is WZTDEDMRBRGRNA-XEAPTMNZSA-N. The full InChI is InChI=1S/C15H22FNO.C2H6/c1-4-7-13(8-5-6-9-16)14-10-12(2)17(3)15(18)11-14;1-2/h4,6-7,9,13-14H,2,5,8,10-11H2,1,3H3;1-2H3/b7-4-,9-6+;.
What are the key properties of ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one?
ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one has a molecular weight of 281.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z,7E)-8-fluoroocta-2,7-dien-4-yl]-1-methyl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 143465427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).