methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate

C12H19N3O2 — CID 62028229

IUPACmethyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCn1ccnc1C
InChIInChI=1S/C12H19N3O2/c1-10-13-5-7-14(10)8-9-15-6-3-4-11(15)12(16)17-2/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKeyAUPLJZWXGOCQDK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.83
Rot. Bonds4

About methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 62028229) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
PubChem CID62028229
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCn1ccnc1C
InChIInChI=1S/C12H19N3O2/c1-10-13-5-7-14(10)8-9-15-6-3-4-11(15)12(16)17-2/h5,7,11H,3-4,6,8-9H2,1-2H3
InChIKeyAUPLJZWXGOCQDK-UHFFFAOYSA-N
XLogP0.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
(2R)-N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 97009294
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 56790676
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80669869
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
CID 115536883
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate (CID 62028229) is methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CCn1ccnc1C.
What is the InChIKey of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is AUPLJZWXGOCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-13-5-7-14(10)8-9-15-6-3-4-11(15)12(16)17-2/h5,7,11H,3-4,6,8-9H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).