1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine

C13H20N2 — CID 155635627

IUPAC1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=CC=CC2N1C(C)C
InChIInChI=1S/C13H20N2/c1-9(2)13-8-11-12(6-5-7-14-11)15(13)10(3)4/h5-12H,1-4H3
InChIKeyDWDKFELJNWIPAU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.63
Rot. Bonds2

About 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine

1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine (PubChem CID 155635627) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
PubChem CID155635627
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=CC=CC2N1C(C)C
InChIInChI=1S/C13H20N2/c1-9(2)13-8-11-12(6-5-7-14-11)15(13)10(3)4/h5-12H,1-4H3
InChIKeyDWDKFELJNWIPAU-UHFFFAOYSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine (CID 155635627) is 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine is CC(C)C1=CC2N=CC=CC2N1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is DWDKFELJNWIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)13-8-11-12(6-5-7-14-11)15(13)10(3)4/h5-12H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3a,7a-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 155635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).