5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione

C19H26N2O3 — CID 138509992

IUPAC5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESC=C/C=C(\C=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O
InChIInChI=1S/C19H26N2O3/c1-5-10-14(6-2)16(22)13-21-17(23)19(3,20(4)18(21)24)15-11-8-7-9-12-15/h5-6,10,15H,1-2,7-9,11-13H2,3-4H3/b14-10+
InChIKeyLZPCQZQITYVYBA-GXDHUFHOSA-N
MW330.43 g/mol
LogP3.09
Rot. Bonds6

About 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione

5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 138509992) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID138509992
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESC=C/C=C(\C=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O
InChIInChI=1S/C19H26N2O3/c1-5-10-14(6-2)16(22)13-21-17(23)19(3,20(4)18(21)24)15-11-8-7-9-12-15/h5-6,10,15H,1-2,7-9,11-13H2,3-4H3/b14-10+
InChIKeyLZPCQZQITYVYBA-GXDHUFHOSA-N
XLogP3.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.09
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-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione (CID 138509992) is 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione is C=C/C=C(\C=C)C(=O)CN1C(=O)N(C)C(C)(C2CCCCC2)C1=O.
What is the InChIKey of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LZPCQZQITYVYBA-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-10-14(6-2)16(22)13-21-17(23)19(3,20(4)18(21)24)15-11-8-7-9-12-15/h5-6,10,15H,1-2,7-9,11-13H2,3-4H3/b14-10+.
What are the key properties of 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione?
5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 138509992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).