tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate

C15H19N3O2 — CID 169467631

IUPACtert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)17-7-4-5-11-9-12-6-8-16-13(12)18-10-11/h4-6,8-10H,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYBKUUJDSKXLHKU-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate (PubChem CID 169467631) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
PubChem CID169467631
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nametert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnc2[nH]ccc2c1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)17-7-4-5-11-9-12-6-8-16-13(12)18-10-11/h4-6,8-10H,7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYBKUUJDSKXLHKU-UHFFFAOYSA-N
XLogP3.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate
CID 169467653
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
CID 169453432
2-fluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]pyridine-3-carboxylic acid
CID 169467897
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169467243
tert-butyl N-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169468397
ethyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 175662950
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]carbamate
CID 169467883
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate (CID 169467631) is tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cnc2[nH]ccc2c1.
What is the InChIKey of tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate?
The InChIKey is YBKUUJDSKXLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)17-7-4-5-11-9-12-6-8-16-13(12)18-10-11/h4-6,8-10H,7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).