tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate

C19H23N3O3 — CID 129282845

IUPACtert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(C2c3ccccc3-c3cncn32)C1
InChIInChI=1S/C19H23N3O3/c1-18(2,3)25-17(23)21-9-8-19(24,11-21)16-14-7-5-4-6-13(14)15-10-20-12-22(15)16/h4-7,10,12,16,24H,8-9,11H2,1-3H3
InChIKeyDVCJNPMCBMVEDO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.82
Rot. Bonds1

About tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 129282845) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate
PubChem CID129282845
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(C2c3ccccc3-c3cncn32)C1
InChIInChI=1S/C19H23N3O3/c1-18(2,3)25-17(23)21-9-8-19(24,11-21)16-14-7-5-4-6-13(14)15-10-20-12-22(15)16/h4-7,10,12,16,24H,8-9,11H2,1-3H3
InChIKeyDVCJNPMCBMVEDO-UHFFFAOYSA-N
XLogP2.82
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (5R,6R)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 153484868
1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 157485261
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 129282746
1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol
CID 129282639
4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
CID 129282637
tert-butyl 4-[(1S)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxylate
CID 70874709
tert-butyl 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylate
CID 66558721
tert-butyl 2'-hydroxy-3'-(5H-imidazo[5,1-a]isoindol-5-yl)spiro[3-azabicyclo[3.2.1]octane-8,1'-cyclobutane]-3-carboxylate
CID 137387145
1-[2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 137387565
tert-butyl 3-[2-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]piperidin-1-yl]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 135172761
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol
CID 137405869
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate (CID 129282845) is tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(C2c3ccccc3-c3cncn32)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is DVCJNPMCBMVEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-18(2,3)25-17(23)21-9-8-19(24,11-21)16-14-7-5-4-6-13(14)15-10-20-12-22(15)16/h4-7,10,12,16,24H,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129282845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).