5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C11H16N2O — CID 118489352

IUPAC5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCOC1=NC2C=C(C(C)C)NC2C=C1
InChIInChI=1S/C11H16N2O/c1-7(2)9-6-10-8(12-9)4-5-11(13-10)14-3/h4-8,10,12H,1-3H3
InChIKeyILCFSHXMGBYXOS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.48
Rot. Bonds1

About 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118489352) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118489352
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCOC1=NC2C=C(C(C)C)NC2C=C1
InChIInChI=1S/C11H16N2O/c1-7(2)9-6-10-8(12-9)4-5-11(13-10)14-3/h4-8,10,12H,1-3H3
InChIKeyILCFSHXMGBYXOS-UHFFFAOYSA-N
XLogP1.48
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118489352) is 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is COC1=NC2C=C(C(C)C)NC2C=C1.
What is the InChIKey of 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ILCFSHXMGBYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)9-6-10-8(12-9)4-5-11(13-10)14-3/h4-8,10,12H,1-3H3.
What are the key properties of 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 192.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118489352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).