ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine

C11H18N2O — CID 145047554

IUPACethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC.COc1ccc2c(n1)CN(C)C2
InChIInChI=1S/C9H12N2O.C2H6/c1-11-5-7-3-4-9(12-2)10-8(7)6-11;1-2/h3-4H,5-6H2,1-2H3;1-2H3
InChIKeyNHMSKJGUVGZOPP-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds1

About ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine

ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 145047554) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID145047554
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC.COc1ccc2c(n1)CN(C)C2
InChIInChI=1S/C9H12N2O.C2H6/c1-11-5-7-3-4-9(12-2)10-8(7)6-11;1-2/h3-4H,5-6H2,1-2H3;1-2H3
InChIKeyNHMSKJGUVGZOPP-UHFFFAOYSA-N
XLogP2.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 145047554) is ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine is CC.COc1ccc2c(n1)CN(C)C2.
What is the InChIKey of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is NHMSKJGUVGZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-11-5-7-3-4-9(12-2)10-8(7)6-11;1-2/h3-4H,5-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 194.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 145047554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).