3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H8N2 — CID 70327680

IUPAC3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CN=C2NC=CC2C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1,3-6H,2H2,(H,8,9)
InChIKeyIEFDSJDBUUCNTP-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.04
Rot. Bonds

About 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine

3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70327680) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70327680
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CN=C2NC=CC2C1
InChIInChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1,3-6H,2H2,(H,8,9)
InChIKeyIEFDSJDBUUCNTP-UHFFFAOYSA-N
XLogP1.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydropyrido[2,3-d]pyrimidine
CID 56983375
(3aS)-5-fluoro-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 126686839
4-fluoro-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
CID 153200141
8-(4,5-dihydro-1H-imidazol-2-yl)-2,3,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 54535551
3-bromo-3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 70262138
3-bromo-4,7-dihydro-3aH-pyrrolo[2,3-b]pyridine
CID 70327682
5-chloro-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89259869
(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
CID 89337028
(3-Ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium
CID 91426073
3,3a,4,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 118672075
3a,4,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 118672085
7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135271443

Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70327680) is 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine is C1=CN=C2NC=CC2C1.
What is the InChIKey of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IEFDSJDBUUCNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1,3-6H,2H2,(H,8,9).
What are the key properties of 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine?
3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70327680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).