5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one

C14H22N2O — CID 142026678

IUPAC5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
SMILESC/C=C\C=C(/C=C\C)N1CNC(=O)C1(C)CC
InChIInChI=1S/C14H22N2O/c1-5-8-10-12(9-6-2)16-11-15-13(17)14(16,4)7-3/h5-6,8-10H,7,11H2,1-4H3,(H,15,17)/b8-5-,9-6-,12-10+
InChIKeyGEGXXCWAXUYUCL-KXUMHCIFSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds4

About 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one

5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one (PubChem CID 142026678) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
PubChem CID142026678
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
SMILESC/C=C\C=C(/C=C\C)N1CNC(=O)C1(C)CC
InChIInChI=1S/C14H22N2O/c1-5-8-10-12(9-6-2)16-11-15-13(17)14(16,4)7-3/h5-6,8-10H,7,11H2,1-4H3,(H,15,17)/b8-5-,9-6-,12-10+
InChIKeyGEGXXCWAXUYUCL-KXUMHCIFSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-[(1E,3Z)-1-amino-5-fluorohexa-1,3,5-trien-2-yl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 89285736
ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
CID 142026677
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142071723
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142152590
1-[(3Z)-hexa-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142313199
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 142909526
3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione
CID 143445283
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
CID 143800907
(5R)-5-ethyl-5-methyl-3-(6-oxo-1H-pyridin-3-yl)imidazolidine-2,4-dione
CID 151708400
5-Ethyl-5-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]imidazolidine-2,4-dione
CID 82907282
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142071724
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
CID 143800908

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one (CID 142026678) is 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one is C/C=C\C=C(/C=C\C)N1CNC(=O)C1(C)CC.
What is the InChIKey of 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
The InChIKey is GEGXXCWAXUYUCL-KXUMHCIFSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-8-10-12(9-6-2)16-11-15-13(17)14(16,4)7-3/h5-6,8-10H,7,11H2,1-4H3,(H,15,17)/b8-5-,9-6-,12-10+.
What are the key properties of 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one is sourced from PubChem (CID 142026678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).