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

C9H12N2 — CID 19826769

IUPAC2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
SMILESCC1=C2C=NC=C2NC(C)C1
InChIInChI=1S/C9H12N2/c1-6-3-7(2)11-9-5-10-4-8(6)9/h4-5,7,11H,3H2,1-2H3
InChIKeyBVDOVIIAYOJFDW-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.61
Rot. Bonds

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

2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 19826769) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
PubChem CID19826769
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
SMILESCC1=C2C=NC=C2NC(C)C1
InChIInChI=1S/C9H12N2/c1-6-3-7(2)11-9-5-10-4-8(6)9/h4-5,7,11H,3H2,1-2H3
InChIKeyBVDOVIIAYOJFDW-UHFFFAOYSA-N
XLogP1.61
TPSA24.39 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine (CID 19826769) is 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine is CC1=C2C=NC=C2NC(C)C1.
What is the InChIKey of 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine?
The InChIKey is BVDOVIIAYOJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-7(2)11-9-5-10-4-8(6)9/h4-5,7,11H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine?
2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 19826769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).