7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine

C7H8N2 — CID 91086728

IUPAC7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine
SMILESC1=NCC2N=CCC2=C1
InChIInChI=1S/C7H8N2/c1-3-8-5-7-6(1)2-4-9-7/h1,3-4,7H,2,5H2
InChIKeyIHLLITWBESNNMP-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.84
Rot. Bonds

About 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine

7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine (PubChem CID 91086728) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine
PubChem CID91086728
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine
SMILESC1=NCC2N=CCC2=C1
InChIInChI=1S/C7H8N2/c1-3-8-5-7-6(1)2-4-9-7/h1,3-4,7H,2,5H2
InChIKeyIHLLITWBESNNMP-UHFFFAOYSA-N
XLogP0.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68634455
3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
CID 90746963
4,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 91011601
3,5,8,8a-Tetrahydro-1,7-naphthyridine
CID 91087833
3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
CID 91174119
7,7a-dihydro-4aH-cyclopenta[b]pyrazine
CID 91295956
5,7a-dihydro-3H-indole
CID 91419055
3,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 123253906
3,5-dihydro-2H-pyrrolo[2,3-c]pyridine
CID 150870441

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine (CID 91086728) is 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine is C1=NCC2N=CCC2=C1.
What is the InChIKey of 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine?
The InChIKey is IHLLITWBESNNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-8-5-7-6(1)2-4-9-7/h1,3-4,7H,2,5H2.
What are the key properties of 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine?
7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 91086728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).