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

C11H13F3N2O — CID 143088399

IUPAC1-[(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)C1
InChIInChI=1S/C11H13F3N2O/c1-3-4-9(11(12,13)14)5-8(2)16-6-10(17)15-7-16/h3-5H,2,6-7H2,1H3,(H,15,17)/b4-3-,9-5+
InChIKeyNFVHFRKDYKOORW-XBURUKCPSA-N
MW246.23 g/mol
LogP1.95
Rot. Bonds3

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

1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one (PubChem CID 143088399) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one
PubChem CID143088399
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-[(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)C1
InChIInChI=1S/C11H13F3N2O/c1-3-4-9(11(12,13)14)5-8(2)16-6-10(17)15-7-16/h3-5H,2,6-7H2,1H3,(H,15,17)/b4-3-,9-5+
InChIKeyNFVHFRKDYKOORW-XBURUKCPSA-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
5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841621
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
3-(4-Methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
CID 143185529
3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one
CID 166796228
1-(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione
CID 174309203

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
The IUPAC name of 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one (CID 143088399) is 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one.
What is the SMILES notation for 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
The canonical SMILES for 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)C1.
What is the InChIKey of 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
The InChIKey is NFVHFRKDYKOORW-XBURUKCPSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-3-4-9(11(12,13)14)5-8(2)16-6-10(17)15-7-16/h3-5H,2,6-7H2,1H3,(H,15,17)/b4-3-,9-5+.
What are the key properties of 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one?
1-[(3E,5Z)-4-(trifluoromethyl)hepta-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 1-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]imidazolidin-4-one is sourced from PubChem (CID 143088399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).