3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione

C14H20N2O2 — CID 143445283

IUPAC3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESC/C=C\C=C/C=C(\C)N1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H20N2O2/c1-5-6-7-8-9-11(4)16-13(17)12(10(2)3)15-14(16)18/h5-10,12H,1-4H3,(H,15,18)/b6-5-,8-7-,11-9+
InChIKeyRKRDPRLVCUVUEH-URJNDAKMSA-N
MW248.33 g/mol
LogP2.60
Rot. Bonds4

About 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione

3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 143445283) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID143445283
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESC/C=C\C=C/C=C(\C)N1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H20N2O2/c1-5-6-7-8-9-11(4)16-13(17)12(10(2)3)15-14(16)18/h5-10,12H,1-4H3,(H,15,18)/b6-5-,8-7-,11-9+
InChIKeyRKRDPRLVCUVUEH-URJNDAKMSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 51925872
(5R)-3-[(1E,3Z)-1-amino-5-fluorohexa-1,3,5-trien-2-yl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 89285736
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 16317247
5-(2-Methylpropyl)-3-(2-propenyl)-2,4-imidazolidinedione
CID 4905117
5-(1-Methylethyl)-3-(2-propenyl)-2,4-imidazolidinedione
CID 19078717
5-Butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
CID 19078759
N-[[[2-(2-methylidene-5-oxopyrrol-1-yl)acetyl]amino]methyl]butanamide
CID 90949066
ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
CID 142026677
3-(Cyclohepta-1,4,6-trien-1-ylmethyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 143445275
(5E)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(4-cyanobutyl)-2-oxo-5-[(2Z)-penta-2,4-dienylidene]imidazolidine-1-carboxamide
CID 143642047
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

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione (CID 143445283) is 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione is C/C=C\C=C/C=C(\C)N1C(=O)NC(C(C)C)C1=O.
What is the InChIKey of 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is RKRDPRLVCUVUEH-URJNDAKMSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-6-7-8-9-11(4)16-13(17)12(10(2)3)15-14(16)18/h5-10,12H,1-4H3,(H,15,18)/b6-5-,8-7-,11-9+.
What are the key properties of 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 143445283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).