5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione

C19H25FN2O3 — CID 138510127

IUPAC5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESC=C/C=C(/F)C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O
InChIInChI=1S/C19H25FN2O3/c1-5-9-15(20)13(2)16(23)12-22-17(24)19(3,21(4)18(22)25)14-10-7-6-8-11-14/h5,9,14H,1-2,6-8,10-12H2,3-4H3/b15-9+
InChIKeyNRSDNYVROIFCFW-OQLLNIDSSA-N
MW348.42 g/mol
LogP3.38
Rot. Bonds6

About 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione

5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 138510127) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID138510127
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESC=C/C=C(/F)C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O
InChIInChI=1S/C19H25FN2O3/c1-5-9-15(20)13(2)16(23)12-22-17(24)19(3,21(4)18(22)25)14-10-7-6-8-11-14/h5,9,14H,1-2,6-8,10-12H2,3-4H3/b15-9+
InChIKeyNRSDNYVROIFCFW-OQLLNIDSSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione (CID 138510127) is 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione is C=C/C=C(/F)C(=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O.
What is the InChIKey of 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NRSDNYVROIFCFW-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-5-9-15(20)13(2)16(23)12-22-17(24)19(3,21(4)18(22)25)14-10-7-6-8-11-14/h5,9,14H,1-2,6-8,10-12H2,3-4H3/b15-9+.
What are the key properties of 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 348.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(4E)-4-fluoro-3-methylidene-2-oxohepta-4,6-dienyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 138510127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).