3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine

C11H14N2 — CID 155280674

IUPAC3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
SMILESCC1=C(C(C)C)N=C2N=CC=CC21
InChIInChI=1S/C11H14N2/c1-7(2)10-8(3)9-5-4-6-12-11(9)13-10/h4-7,9H,1-3H3
InChIKeyHAEFDAHZAKHRFK-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.59
Rot. Bonds1

About 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine

3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 155280674) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
PubChem CID155280674
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
SMILESCC1=C(C(C)C)N=C2N=CC=CC21
InChIInChI=1S/C11H14N2/c1-7(2)10-8(3)9-5-4-6-12-11(9)13-10/h4-7,9H,1-3H3
InChIKeyHAEFDAHZAKHRFK-UHFFFAOYSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine (CID 155280674) is 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine is CC1=C(C(C)C)N=C2N=CC=CC21.
What is the InChIKey of 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is HAEFDAHZAKHRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)10-8(3)9-5-4-6-12-11(9)13-10/h4-7,9H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155280674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).