2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate

C10H12N2O4 — CID 66921588

IUPAC2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)n1ccnc1
InChIInChI=1S/C10H12N2O4/c1-8(2)9(13)15-5-6-16-10(14)12-4-3-11-7-12/h3-4,7H,1,5-6H2,2H3
InChIKeyFYNPAXQXBPZCQI-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate

2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate (PubChem CID 66921588) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate
PubChem CID66921588
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)n1ccnc1
InChIInChI=1S/C10H12N2O4/c1-8(2)9(13)15-5-6-16-10(14)12-4-3-11-7-12/h3-4,7H,1,5-6H2,2H3
InChIKeyFYNPAXQXBPZCQI-UHFFFAOYSA-N
XLogP0.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate (CID 66921588) is 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate is C=C(C)C(=O)OCCOC(=O)n1ccnc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate?
The InChIKey is FYNPAXQXBPZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-8(2)9(13)15-5-6-16-10(14)12-4-3-11-7-12/h3-4,7H,1,5-6H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate?
2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl imidazole-1-carboxylate is sourced from PubChem (CID 66921588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).