3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C13H11N2- — CID 91928260

IUPAC3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(Cc3cc[cH-]c3)c2c1
InChIInChI=1S/C13H11N2/c1-2-5-10(4-1)8-11-9-15-13-12(11)6-3-7-14-13/h1-7,9H,8H2,(H,14,15)/q-1
InChIKeyUVDHITWMYZIEKD-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.87
Rot. Bonds2

About 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 91928260) has the molecular formula C13H11N2- and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID91928260
Molecular FormulaC13H11N2-
Molecular Weight195.25 g/mol
Exact Mass195.09
IUPAC Name3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(Cc3cc[cH-]c3)c2c1
InChIInChI=1S/C13H11N2/c1-2-5-10(4-1)8-11-9-15-13-12(11)6-3-7-14-13/h1-7,9H,8H2,(H,14,15)/q-1
InChIKeyUVDHITWMYZIEKD-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
CID 58065947
3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86671429
N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 25151533
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71096537
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442263
N-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-5-amine
CID 66971142

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 91928260) is 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(Cc3cc[cH-]c3)c2c1.
What is the InChIKey of 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UVDHITWMYZIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2/c1-2-5-10(4-1)8-11-9-15-13-12(11)6-3-7-14-13/h1-7,9H,8H2,(H,14,15)/q-1.
What are the key properties of 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 195.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).