4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C9H14N2 — CID 122609121

IUPAC4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CC(C)=NC2NCCC12
InChIInChI=1S/C9H14N2/c1-6-5-7(2)11-9-8(6)3-4-10-9/h5,8-10H,3-4H2,1-2H3
InChIKeyUGUBEGXKSNIXSE-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.34
Rot. Bonds

About 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine

4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122609121) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID122609121
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CC(C)=NC2NCCC12
InChIInChI=1S/C9H14N2/c1-6-5-7(2)11-9-8(6)3-4-10-9/h5,8-10H,3-4H2,1-2H3
InChIKeyUGUBEGXKSNIXSE-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 122609121) is 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine is CC1=CC(C)=NC2NCCC12.
What is the InChIKey of 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UGUBEGXKSNIXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-5-7(2)11-9-8(6)3-4-10-9/h5,8-10H,3-4H2,1-2H3.
What are the key properties of 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122609121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).