2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C9H12N2 — CID 118491776

IUPAC2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=C(C)C=CC2N1
InChIInChI=1S/C9H12N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h3-5,8-9,11H,1-2H3
InChIKeyHEXZMSJYGLRARZ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds

About 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118491776) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118491776
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=C(C)C=CC2N1
InChIInChI=1S/C9H12N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h3-5,8-9,11H,1-2H3
InChIKeyHEXZMSJYGLRARZ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118491776) is 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2N=C(C)C=CC2N1.
What is the InChIKey of 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is HEXZMSJYGLRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h3-5,8-9,11H,1-2H3.
What are the key properties of 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118491776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).