5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine

C12H12N2 — CID 145220213

IUPAC5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC=C(/C=C\C)c1cnc2[nH]ccc2c1
InChIInChI=1S/C12H12N2/c1-3-4-9(2)11-7-10-5-6-13-12(10)14-8-11/h3-8H,2H2,1H3,(H,13,14)/b4-3-
InChIKeyUTSWNKPFUQVVPV-ARJAWSKDSA-N
MW184.24 g/mol
LogP3.15
Rot. Bonds2

About 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine

5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 145220213) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID145220213
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC=C(/C=C\C)c1cnc2[nH]ccc2c1
InChIInChI=1S/C12H12N2/c1-3-4-9(2)11-7-10-5-6-13-12(10)14-8-11/h3-8H,2H2,1H3,(H,13,14)/b4-3-
InChIKeyUTSWNKPFUQVVPV-ARJAWSKDSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(3Z)-penta-1,3-dien-2-yl]-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

1H-Pyrrolo(2,3-b)pyridine
CID 9222
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Rolodine
CID 5359646
Immethridine
CID 9989505
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
FR-79620
CID 10421577
Imidazo(4,5-b)pyridine
CID 67504
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 145220213) is 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine is C=C(/C=C\C)c1cnc2[nH]ccc2c1.
What is the InChIKey of 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UTSWNKPFUQVVPV-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-4-9(2)11-7-10-5-6-13-12(10)14-8-11/h3-8H,2H2,1H3,(H,13,14)/b4-3-.
What are the key properties of 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine?
5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 184.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145220213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).