3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine

C13H18N2 — CID 146517779

IUPAC3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CC2C(C(C)C)=CN=C2N=C1
InChIInChI=1S/C13H18N2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10/h5-9,11H,1-4H3
InChIKeyKDGOKLKXSVCHHU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds2

About 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine

3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 146517779) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
PubChem CID146517779
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CC2C(C(C)C)=CN=C2N=C1
InChIInChI=1S/C13H18N2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10/h5-9,11H,1-4H3
InChIKeyKDGOKLKXSVCHHU-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 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine (CID 146517779) is 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine is CC(C)C1=CC2C(C(C)C)=CN=C2N=C1.
What is the InChIKey of 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is KDGOKLKXSVCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)10-5-11-12(9(3)4)7-15-13(11)14-6-10/h5-9,11H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine?
3,5-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 3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146517779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).