2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine

C10H14N2 — CID 22156640

IUPAC2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine
SMILESCC1=C2C=NC=C2NC(C)(C)C1
InChIInChI=1S/C10H14N2/c1-7-4-10(2,3)12-9-6-11-5-8(7)9/h5-6,12H,4H2,1-3H3
InChIKeySHRAECGXXNCHCJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.00
Rot. Bonds

About 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine

2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine (PubChem CID 22156640) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine
PubChem CID22156640
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine
SMILESCC1=C2C=NC=C2NC(C)(C)C1
InChIInChI=1S/C10H14N2/c1-7-4-10(2,3)12-9-6-11-5-8(7)9/h5-6,12H,4H2,1-3H3
InChIKeySHRAECGXXNCHCJ-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine (CID 22156640) is 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine is CC1=C2C=NC=C2NC(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is SHRAECGXXNCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-4-10(2,3)12-9-6-11-5-8(7)9/h5-6,12H,4H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine?
2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 22156640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).