tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

C14H23N3O2 — CID 77436047

IUPACtert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc(C2CC(C)CN2C(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9-6-11(12-15-7-10(2)16-12)17(8-9)13(18)19-14(3,4)5/h7,9,11H,6,8H2,1-5H3,(H,15,16)
InChIKeyBHRIOWSADSLZGQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.04
Rot. Bonds1

About tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 77436047) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID77436047
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc(C2CC(C)CN2C(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9-6-11(12-15-7-10(2)16-12)17(8-9)13(18)19-14(3,4)5/h7,9,11H,6,8H2,1-5H3,(H,15,16)
InChIKeyBHRIOWSADSLZGQ-UHFFFAOYSA-N
XLogP3.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Dimethylethyl (2S)-2-(5-bromo-1H-imidazol-2-yl)-1-pyrrolidinecarboxylate
CID 56605192
tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 134789102
tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 134789944
tert-Butyl 4-(4-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67434961
tert-butyl 4-(4-ethyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867392
tert-butyl 4-(4-isopropyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867557
tert-Butyl 4-(1H-imidazol-4-yl)piperidine-1-carboxylate
CID 15233293
N-Ethyl-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}pyrrolidine-1-carboxamide
CID 110198080
3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 110198081
tert-Butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 49783269
tert-Butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 56605248
(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]pyrrolidin-3-amine
CID 72931422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (CID 77436047) is tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate is Cc1cnc(C2CC(C)CN2C(=O)OC(C)(C)C)[nH]1.
What is the InChIKey of tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is BHRIOWSADSLZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-6-11(12-15-7-10(2)16-12)17(8-9)13(18)19-14(3,4)5/h7,9,11H,6,8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 77436047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).