1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C15H18Cl2N2O4 — CID 88791160

IUPAC1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CCC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)N1C(=O)CNC1=O
InChIInChI=1S/C15H18Cl2N2O4/c1-4-5-11(19-10(20)7-18-14(19)22)23-13(21)12-8(6-9(16)17)15(12,2)3/h4,6,8,11-12H,1,5,7H2,2-3H3,(H,18,22)
InChIKeyKZYFXLNVADJONY-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.57
Rot. Bonds6

About 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 88791160) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID88791160
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=CCC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)N1C(=O)CNC1=O
InChIInChI=1S/C15H18Cl2N2O4/c1-4-5-11(19-10(20)7-18-14(19)22)23-13(21)12-8(6-9(16)17)15(12,2)3/h4,6,8,11-12H,1,5,7H2,2-3H3,(H,18,22)
InChIKeyKZYFXLNVADJONY-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 103936497
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
1-[3-(4-fluorophenoxy)phenyl]prop-2-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 12783376
1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 175320381
4-fluorohept-4-en-1-yn-3-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54121965
trans-(2,3,5,6-tetrafluoro-4-pyridinyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88661930
cis-(3-propylcyclopent-3-en-1-yl) (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54161739
naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 134096567
3-(2-chloro-3-pyridinyl)propyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11279945
[cyano-(2,4,5-trimethoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 134097214

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 88791160) is 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is C=CCC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)N1C(=O)CNC1=O.
What is the InChIKey of 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is KZYFXLNVADJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-4-5-11(19-10(20)7-18-14(19)22)23-13(21)12-8(6-9(16)17)15(12,2)3/h4,6,8,11-12H,1,5,7H2,2-3H3,(H,18,22).
What are the key properties of 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 88791160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).