2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine

C8H10N2 — CID 89054811

IUPAC2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine
SMILESCN1C=C2C=CN=CC2C1
InChIInChI=1S/C8H10N2/c1-10-5-7-2-3-9-4-8(7)6-10/h2-5,8H,6H2,1H3
InChIKeyOZQBWXWQRCOBHC-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.03
Rot. Bonds

About 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine

2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine (PubChem CID 89054811) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine
PubChem CID89054811
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine
SMILESCN1C=C2C=CN=CC2C1
InChIInChI=1S/C8H10N2/c1-10-5-7-2-3-9-4-8(7)6-10/h2-5,8H,6H2,1H3
InChIKeyOZQBWXWQRCOBHC-UHFFFAOYSA-N
XLogP1.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine (CID 89054811) is 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine is CN1C=C2C=CN=CC2C1.
What is the InChIKey of 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is OZQBWXWQRCOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-5-7-2-3-9-4-8(7)6-10/h2-5,8H,6H2,1H3.
What are the key properties of 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine?
2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 134.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3a-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 89054811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).