methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate

C9H12N2O2 — CID 18729352

IUPACmethyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cn(C)cn2)CC1
InChIInChI=1S/C9H12N2O2/c1-11-5-7(10-6-11)9(3-4-9)8(12)13-2/h5-6H,3-4H2,1-2H3
InChIKeyJMLPCRBJBKQWCO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.62
Rot. Bonds2

About methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate

methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 18729352) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate
PubChem CID18729352
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cn(C)cn2)CC1
InChIInChI=1S/C9H12N2O2/c1-11-5-7(10-6-11)9(3-4-9)8(12)13-2/h5-6H,3-4H2,1-2H3
InChIKeyJMLPCRBJBKQWCO-UHFFFAOYSA-N
XLogP0.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-imidazoleacetate
CID 21283465
Aminozooanemonin
CID 10080783
Methyl 2-[3-(fluoromethyl)imidazol-4-yl]acetate
CID 141934909
2-(1,3-Dimethylimidazol-1-ium-4-yl)acetate
CID 12184487
Ethyl 2-(1-methyl-1H-imidazol-5-yl)acetate
CID 119081651
2-[3-(3-Fluoro-3-methylbutyl)imidazol-4-yl]acetic acid
CID 84680328
1-(1-ethyl-1H-imidazol-5-yl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 165659606
2,2-difluoro-1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}cyclopropane-1-carboxylic acid
CID 165686492
1-{1-[(tert-butoxy)carbonyl]-1H-imidazol-4-yl}-2,2-difluorocyclopropane-1-carboxylic acid
CID 165833557
2,2-difluoro-1-(1-methyl-1H-imidazol-4-yl)cyclopropane-1-carboxylic acid
CID 165836643
2,2-difluoro-1-(1-methyl-1H-imidazol-5-yl)cyclopropane-1-carboxylic acid
CID 165837584
Diethyl 2-methyl-2-(3-methyl-2-propylimidazol-4-yl)propanedioate
CID 11197227

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate (CID 18729352) is methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2cn(C)cn2)CC1.
What is the InChIKey of methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is JMLPCRBJBKQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-5-7(10-6-11)9(3-4-9)8(12)13-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate?
methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methylimidazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 18729352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).