ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate

C10H14N2O2 — CID 135377625

IUPACethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1nccn1C
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-11-4-5-12(9)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMYJBWYWTJVMBKL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds3

About ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 135377625) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID135377625
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1nccn1C
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-11-4-5-12(9)2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMYJBWYWTJVMBKL-UHFFFAOYSA-N
XLogP1.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate (CID 135377625) is ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1nccn1C.
What is the InChIKey of ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is MYJBWYWTJVMBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-11-4-5-12(9)2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 135377625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).