1-pent-4-enylpyrrolo[2,3-b]pyridine

C12H14N2 — CID 175838520

IUPAC1-pent-4-enylpyrrolo[2,3-b]pyridine
SMILESC=CCCCn1ccc2cccnc21
InChIInChI=1S/C12H14N2/c1-2-3-4-9-14-10-7-11-6-5-8-13-12(11)14/h2,5-8,10H,1,3-4,9H2
InChIKeyTYJMMDUAYYOTIY-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.00
Rot. Bonds4

About 1-pent-4-enylpyrrolo[2,3-b]pyridine

1-pent-4-enylpyrrolo[2,3-b]pyridine (PubChem CID 175838520) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-pent-4-enylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-pent-4-enylpyrrolo[2,3-b]pyridine
PubChem CID175838520
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-pent-4-enylpyrrolo[2,3-b]pyridine
SMILESC=CCCCn1ccc2cccnc21
InChIInChI=1S/C12H14N2/c1-2-3-4-9-14-10-7-11-6-5-8-13-12(11)14/h2,5-8,10H,1,3-4,9H2
InChIKeyTYJMMDUAYYOTIY-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
CID 59595069
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
(1-pent-4-enylindol-7-yl)methanol
CID 102912127
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine
CID 76852301
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
CID 90556457
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
4-tert-butyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzenesulfonamide
CID 90556477
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-pent-4-enylpyrrolo[2,3-b]pyridine (CID 175838520) is 1-pent-4-enylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-pent-4-enylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-pent-4-enylpyrrolo[2,3-b]pyridine is C=CCCCn1ccc2cccnc21.
What is the InChIKey of 1-pent-4-enylpyrrolo[2,3-b]pyridine?
The InChIKey is TYJMMDUAYYOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-4-9-14-10-7-11-6-5-8-13-12(11)14/h2,5-8,10H,1,3-4,9H2.
What are the key properties of 1-pent-4-enylpyrrolo[2,3-b]pyridine?
1-pent-4-enylpyrrolo[2,3-b]pyridine has a molecular weight of 186.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175838520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).