1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine

C9H12N2 — CID 68633294

IUPAC1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine
SMILESCC1(C)NCc2cnccc21
InChIInChI=1S/C9H12N2/c1-9(2)8-3-4-10-5-7(8)6-11-9/h3-5,11H,6H2,1-2H3
InChIKeyOQBDFPGVQOBFET-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.42
Rot. Bonds

About 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine

1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 68633294) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID68633294
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine
SMILESCC1(C)NCc2cnccc21
InChIInChI=1S/C9H12N2/c1-9(2)8-3-4-10-5-7(8)6-11-9/h3-5,11H,6H2,1-2H3
InChIKeyOQBDFPGVQOBFET-UHFFFAOYSA-N
XLogP1.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine (CID 68633294) is 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine is CC1(C)NCc2cnccc21.
What is the InChIKey of 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is OQBDFPGVQOBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-9(2)8-3-4-10-5-7(8)6-11-9/h3-5,11H,6H2,1-2H3.
What are the key properties of 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine?
1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 68633294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).