2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate

C13H18N2O4 — CID 146209608

IUPAC2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
SMILESCC1(C)CC1(C)C(=O)OCCOC(=O)n1ccnc1
InChIInChI=1S/C13H18N2O4/c1-12(2)8-13(12,3)10(16)18-6-7-19-11(17)15-5-4-14-9-15/h4-5,9H,6-8H2,1-3H3
InChIKeyWRDFTHSWMNIRPY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds4

About 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate

2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate (PubChem CID 146209608) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
PubChem CID146209608
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
SMILESCC1(C)CC1(C)C(=O)OCCOC(=O)n1ccnc1
InChIInChI=1S/C13H18N2O4/c1-12(2)8-13(12,3)10(16)18-6-7-19-11(17)15-5-4-14-9-15/h4-5,9H,6-8H2,1-3H3
InChIKeyWRDFTHSWMNIRPY-UHFFFAOYSA-N
XLogP1.85
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl imidazole-1-carboxylate
CID 10583275
butyl imidazole-1-carboxylate
CID 12840941
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
CID 89467135
2-phenylethyl imidazole-1-carboxylate
CID 15371420
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
(2-oxo-2-pyrrolidin-1-ylethyl) imidazole-1-carboxylate
CID 134348666
(1-acetylpiperidin-4-yl)methyl imidazole-1-carboxylate
CID 135338878
[1-(methylcarbamoyl)piperidin-4-yl]methyl imidazole-1-carboxylate
CID 135337374
2-[2-[2-[2-[methyl-[(Z)-2-(methylideneamino)ethenyl]carbamoyl]oxyethoxy]ethoxy]ethoxy]ethyl imidazole-1-carboxylate
CID 156560762
[4-oxo-3-[4,7,10-tris(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]pentyl] imidazole-1-carboxylate
CID 58942225

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate?
The IUPAC name of 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate (CID 146209608) is 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate?
The canonical SMILES for 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate is CC1(C)CC1(C)C(=O)OCCOC(=O)n1ccnc1.
What is the InChIKey of 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate?
The InChIKey is WRDFTHSWMNIRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-12(2)8-13(12,3)10(16)18-6-7-19-11(17)15-5-4-14-9-15/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate?
2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate is sourced from PubChem (CID 146209608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).