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

C9H12N2 — CID 21300217

IUPAC3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
SMILESCC1(C)CNc2cnccc21
InChIInChI=1S/C9H12N2/c1-9(2)6-11-8-5-10-4-3-7(8)9/h3-5,11H,6H2,1-2H3
InChIKeyYBZWRGDVFXRRDK-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.78
Rot. Bonds

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

3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine (PubChem CID 21300217) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
PubChem CID21300217
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine
SMILESCC1(C)CNc2cnccc21
InChIInChI=1S/C9H12N2/c1-9(2)6-11-8-5-10-4-3-7(8)9/h3-5,11H,6H2,1-2H3
InChIKeyYBZWRGDVFXRRDK-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
The IUPAC name of 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine (CID 21300217) is 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine is CC1(C)CNc2cnccc21.
What is the InChIKey of 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
The InChIKey is YBZWRGDVFXRRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-9(2)6-11-8-5-10-4-3-7(8)9/h3-5,11H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine?
3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 21300217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).