tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate

C12H16N2O2 — CID 59566496

IUPACtert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ncccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-8-6-9-10(14)5-4-7-13-9/h4-5,7H,6,8H2,1-3H3
InChIKeyDXABOGASCVFZGJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.38
Rot. Bonds

About tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate

tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 59566496) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID59566496
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nametert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ncccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-8-6-9-10(14)5-4-7-13-9/h4-5,7H,6,8H2,1-3H3
InChIKeyDXABOGASCVFZGJ-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]cyclobutane-1-carboxylic acid
CID 155093194
tert-butyl 5-(1-cyanocyclobutyl)-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 142580277
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 5-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84633187
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 136544164

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate (CID 59566496) is tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCc2ncccc21.
What is the InChIKey of tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is DXABOGASCVFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-8-6-9-10(14)5-4-7-13-9/h4-5,7H,6,8H2,1-3H3.
What are the key properties of tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 59566496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).