tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate

C15H23N3O3 — CID 102970356

IUPACtert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC1OCc2[nH]c(C3CCCN3C(=O)OC(C)(C)C)nc21
InChIInChI=1S/C15H23N3O3/c1-9-12-10(8-20-9)16-13(17-12)11-6-5-7-18(11)14(19)21-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,16,17)
InChIKeyPWXAIFSKGZIINX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 102970356) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID102970356
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCC1OCc2[nH]c(C3CCCN3C(=O)OC(C)(C)C)nc21
InChIInChI=1S/C15H23N3O3/c1-9-12-10(8-20-9)16-13(17-12)11-6-5-7-18(11)14(19)21-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,16,17)
InChIKeyPWXAIFSKGZIINX-UHFFFAOYSA-N
XLogP3.07
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyrrolidine-1-carboxylate
CID 102970187
tert-butyl (2S)-2-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyrrolidine-1-carboxylate
CID 102970203
tert-butyl 2-(4,5-diiodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 66982217
tert-butyl 2-(4-ethylidene-5-methylidene-6,7-dihydro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 123475896
tert-butyl (2S)-2-(4,5-diethyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 102970080
tert-butyl 2-(7-bromo-3,4-dihydrochromeno[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate
CID 76619650
tert-butyl 2-[6-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59610695
tert-butyl 2-[6-(bromomethyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59540214
tert-butyl 2-(5-bromo-3H-imidazo[4,5-b]pyrazin-2-yl)pyrrolidine-1-carboxylate
CID 76804833
tert-butyl 2-[6-[6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 66982100
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 58501743

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate (CID 102970356) is tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate is CC1OCc2[nH]c(C3CCCN3C(=O)OC(C)(C)C)nc21.
What is the InChIKey of tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is PWXAIFSKGZIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-12-10(8-20-9)16-13(17-12)11-6-5-7-18(11)14(19)21-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102970356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).