7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine

C7H8N2 — CID 91802564

IUPAC7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
SMILESC1=CC2C=NCC2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-4,6-7H,5H2
InChIKeyUVEFLYYHAULEGR-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.70
Rot. Bonds

About 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine

7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine (PubChem CID 91802564) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
PubChem CID91802564
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
SMILESC1=CC2C=NCC2N=C1
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-4,6-7H,5H2
InChIKeyUVEFLYYHAULEGR-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 17848308
7,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 20067303
5,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 58270246
3a,4-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 68634455
3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
CID 91174119
7,7a-dihydro-4aH-cyclopenta[b]pyrazine
CID 91295956
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094
5,7a-dihydro-1H-isoindole
CID 123946634
3-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine
CID 157071248
3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine
CID 178185805

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
The IUPAC name of 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine (CID 91802564) is 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine is C1=CC2C=NCC2N=C1.
What is the InChIKey of 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
The InChIKey is UVEFLYYHAULEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-4,6-7H,5H2.
What are the key properties of 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine?
7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine has a molecular weight of 120.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-4aH-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 91802564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).