2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine

C13H18N2 — CID 155635626

IUPAC2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=C(C(C)C)C2C=CC=NC2=N1
InChIInChI=1S/C13H18N2/c1-8(2)11-10-6-5-7-14-13(10)15-12(11)9(3)4/h5-10H,1-4H3
InChIKeyNBQBRBURMNWHLB-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds2

About 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine

2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 155635626) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
PubChem CID155635626
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=C(C(C)C)C2C=CC=NC2=N1
InChIInChI=1S/C13H18N2/c1-8(2)11-10-6-5-7-14-13(10)15-12(11)9(3)4/h5-10H,1-4H3
InChIKeyNBQBRBURMNWHLB-UHFFFAOYSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine (CID 155635626) is 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine is CC(C)C1=C(C(C)C)C2C=CC=NC2=N1.
What is the InChIKey of 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is NBQBRBURMNWHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)11-10-6-5-7-14-13(10)15-12(11)9(3)4/h5-10H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 202.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155635626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).