3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine

C11H12N2 — CID 142204589

IUPAC3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC/C=C\Cc1c[nH]c2ncccc12
InChIInChI=1S/C11H12N2/c1-2-3-5-9-8-13-11-10(9)6-4-7-12-11/h2-4,6-8H,5H2,1H3,(H,12,13)/b3-2-
InChIKeyUFSJZQWOFWKHEG-IHWYPQMZSA-N
MW172.23 g/mol
LogP2.68
Rot. Bonds2

About 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine

3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142204589) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID142204589
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC/C=C\Cc1c[nH]c2ncccc12
InChIInChI=1S/C11H12N2/c1-2-3-5-9-8-13-11-10(9)6-4-7-12-11/h2-4,6-8H,5H2,1H3,(H,12,13)/b3-2-
InChIKeyUFSJZQWOFWKHEG-IHWYPQMZSA-N
XLogP2.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine 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

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86671429
2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 66415076
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
CID 89301473
CID 89301473
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine (CID 142204589) is 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine is C/C=C\Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UFSJZQWOFWKHEG-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-3-5-9-8-13-11-10(9)6-4-7-12-11/h2-4,6-8H,5H2,1H3,(H,12,13)/b3-2-.
What are the key properties of 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142204589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).