1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione

C15H18FNO2 — CID 90869819

IUPAC1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(CC(F)=C2CCCCC2)C1=O
InChIInChI=1S/C15H18FNO2/c1-3-12-10(2)14(18)17(15(12)19)9-13(16)11-7-5-4-6-8-11/h3H,1,4-9H2,2H3
InChIKeyRGSKUKJMQFHPKF-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione

1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione (PubChem CID 90869819) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione
PubChem CID90869819
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(CC(F)=C2CCCCC2)C1=O
InChIInChI=1S/C15H18FNO2/c1-3-12-10(2)14(18)17(15(12)19)9-13(16)11-7-5-4-6-8-11/h3H,1,4-9H2,2H3
InChIKeyRGSKUKJMQFHPKF-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione (CID 90869819) is 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione is C=CC1=C(C)C(=O)N(CC(F)=C2CCCCC2)C1=O.
What is the InChIKey of 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione?
The InChIKey is RGSKUKJMQFHPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-12-10(2)14(18)17(15(12)19)9-13(16)11-7-5-4-6-8-11/h3H,1,4-9H2,2H3.
What are the key properties of 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione?
1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione has a molecular weight of 263.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylidene-2-fluoroethyl)-3-ethenyl-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 90869819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).