(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid

C10H8N2O2 — CID 10330100

IUPAC(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1c[nH]c2ncccc12
InChIInChI=1S/C10H8N2O2/c13-9(14)4-3-7-6-12-10-8(7)2-1-5-11-10/h1-6H,(H,11,12)(H,13,14)/b4-3+
InChIKeyIDRPICVEEDJIGZ-ONEGZZNKSA-N
MW188.19 g/mol
LogP1.66
Rot. Bonds2

About (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid

(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid (PubChem CID 10330100) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
PubChem CID10330100
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1c[nH]c2ncccc12
InChIInChI=1S/C10H8N2O2/c13-9(14)4-3-7-6-12-10-8(7)2-1-5-11-10/h1-6H,(H,11,12)(H,13,14)/b4-3+
InChIKeyIDRPICVEEDJIGZ-ONEGZZNKSA-N
XLogP1.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid 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

1H-Pyrrolo(2,3-b)pyridine
CID 9222
1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 5372812
7-Azaindole-3-carbonitrile
CID 10313195
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
N-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]prop-2-enamide
CID 69990516
2-(cyclohexylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962806
2-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962807
2-anilino-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962808
2-phenyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4(3H)-one
CID 135962857
5-Fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784462
7-Azatryptophan
CID 5354789
3-Iodo-7-azaindole
CID 5377078

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid (CID 10330100) is (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid is O=C(O)/C=C/c1c[nH]c2ncccc12.
What is the InChIKey of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is IDRPICVEEDJIGZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9(14)4-3-7-6-12-10-8(7)2-1-5-11-10/h1-6H,(H,11,12)(H,13,14)/b4-3+.
What are the key properties of (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid?
(E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 10330100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).