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

C11H13F3N2O — CID 142841621

IUPAC5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
SMILESC=C/C(=C\C(=C)N1CNC(=O)C1C)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-4-9(11(12,13)14)5-7(2)16-6-15-10(17)8(16)3/h4-5,8H,1-2,6H2,3H3,(H,15,17)/b9-5+
InChIKeySBPJTAFSLNQYOV-WEVVVXLNSA-N
MW246.23 g/mol
LogP1.95
Rot. Bonds3

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

5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one (PubChem CID 142841621) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
PubChem CID142841621
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
SMILESC=C/C(=C\C(=C)N1CNC(=O)C1C)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-4-9(11(12,13)14)5-7(2)16-6-15-10(17)8(16)3/h4-5,8H,1-2,6H2,3H3,(H,15,17)/b9-5+
InChIKeySBPJTAFSLNQYOV-WEVVVXLNSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.95
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
1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
CID 143088399
N-methyl-2-[methyl-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]amino]propanamide
CID 143088403
5-methyl-1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
CID 143088408
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
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
CID 143800907
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-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The IUPAC name of 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one (CID 142841621) is 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one.
What is the SMILES notation for 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The canonical SMILES for 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one is C=C/C(=C\C(=C)N1CNC(=O)C1C)C(F)(F)F.
What is the InChIKey of 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
The InChIKey is SBPJTAFSLNQYOV-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-4-9(11(12,13)14)5-7(2)16-6-15-10(17)8(16)3/h4-5,8H,1-2,6H2,3H3,(H,15,17)/b9-5+.
What are the key properties of 5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one?
5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one has a molecular weight of 246.23 g/mol, XLogP of 1.95, 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)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one is sourced from PubChem (CID 142841621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).