5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one

C12H15F3N2O — CID 143088408

IUPAC5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
SMILESC=C(/C=C(\C=C/C)C(F)(F)F)N1CNC(=O)C1C
InChIInChI=1S/C12H15F3N2O/c1-4-5-10(12(13,14)15)6-8(2)17-7-16-11(18)9(17)3/h4-6,9H,2,7H2,1,3H3,(H,16,18)/b5-4-,10-6+
InChIKeyMQWIJIVAQQURQR-VWJYOPCBSA-N
MW260.26 g/mol
LogP2.34
Rot. Bonds3

About 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one

5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one (PubChem CID 143088408) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
PubChem CID143088408
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
SMILESC=C(/C=C(\C=C/C)C(F)(F)F)N1CNC(=O)C1C
InChIInChI=1S/C12H15F3N2O/c1-4-5-10(12(13,14)15)6-8(2)17-7-16-11(18)9(17)3/h4-6,9H,2,7H2,1,3H3,(H,16,18)/b5-4-,10-6+
InChIKeyMQWIJIVAQQURQR-VWJYOPCBSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841608
ethane;1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841614
5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841621
1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
CID 143088399
1,5-dimethyl-3-[2-methyl-4-(trifluoromethyl)-1H-pyridin-2-yl]imidazolidine-2,4-dione
CID 162606608
2-[[(3E)-3-[(Z)-2-aminoethenyl]penta-1,3-dien-2-yl]amino]-1-(3,3-difluoropyrrolidin-1-yl)propan-1-one
CID 166932237
5-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-2-methylideneimidazolidin-4-one
CID 143510816

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
The IUPAC name of 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one (CID 143088408) is 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one.
What is the SMILES notation for 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
The canonical SMILES for 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one is C=C(/C=C(\C=C/C)C(F)(F)F)N1CNC(=O)C1C.
What is the InChIKey of 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
The InChIKey is MQWIJIVAQQURQR-VWJYOPCBSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-4-5-10(12(13,14)15)6-8(2)17-7-16-11(18)9(17)3/h4-6,9H,2,7H2,1,3H3,(H,16,18)/b5-4-,10-6+.
What are the key properties of 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one has a molecular weight of 260.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one is sourced from PubChem (CID 143088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).