tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate

C12H17N3O2 — CID 178015225

IUPACtert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNc2ncccc21
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-9-7-14-10-8(9)5-4-6-13-10/h4-6,9H,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBGIKYBJMMALEBQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate

tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate (PubChem CID 178015225) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
PubChem CID178015225
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nametert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNc2ncccc21
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-9-7-14-10-8(9)5-4-6-13-10/h4-6,9H,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBGIKYBJMMALEBQ-UHFFFAOYSA-N
XLogP2.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate
CID 83763376
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
tert-butyl N-(6-oxo-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-7-yl)carbamate
CID 123835459
tert-butyl N-[(7S)-6-oxo-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-7-yl]carbamate
CID 90351309
tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
CID 123848326
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(oxomethylidene)-1,3-dihydropyrrolo[2,3-b]pyridin-3-yl]propanoate
CID 176524525
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 117272471
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
CID 52938554
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate (CID 178015225) is tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNc2ncccc21.
What is the InChIKey of tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The InChIKey is BGIKYBJMMALEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-9-7-14-10-8(9)5-4-6-13-10/h4-6,9H,7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate has a molecular weight of 235.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate is sourced from PubChem (CID 178015225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).