3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine

C13H22N2 — CID 58110615

IUPAC3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CN=C2C1CCCN2C(C)C
InChIInChI=1S/C13H22N2/c1-9(2)12-8-14-13-11(12)6-5-7-15(13)10(3)4/h8-11H,5-7H2,1-4H3
InChIKeyYQXBTNWDXNAEIX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds2

About 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine

3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine (PubChem CID 58110615) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
PubChem CID58110615
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CN=C2C1CCCN2C(C)C
InChIInChI=1S/C13H22N2/c1-9(2)12-8-14-13-11(12)6-5-7-15(13)10(3)4/h8-11H,5-7H2,1-4H3
InChIKeyYQXBTNWDXNAEIX-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine (CID 58110615) is 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine is CC(C)C1=CN=C2C1CCCN2C(C)C.
What is the InChIKey of 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
The InChIKey is YQXBTNWDXNAEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)12-8-14-13-11(12)6-5-7-15(13)10(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine?
3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine has a molecular weight of 206.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)-3a,4,5,6-tetrahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58110615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).