ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine

C11H18N2O — CID 157029872

IUPACethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine
SMILESCC.COc1cc2c(cn1)N(C)CC2
InChIInChI=1S/C9H12N2O.C2H6/c1-11-4-3-7-5-9(12-2)10-6-8(7)11;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyPSODTXFCQZYTFW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.11
Rot. Bonds1

About ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine

ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine (PubChem CID 157029872) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine
PubChem CID157029872
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine
SMILESCC.COc1cc2c(cn1)N(C)CC2
InChIInChI=1S/C9H12N2O.C2H6/c1-11-4-3-7-5-9(12-2)10-6-8(7)11;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyPSODTXFCQZYTFW-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine?
The IUPAC name of ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine (CID 157029872) is ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine?
The canonical SMILES for ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine is CC.COc1cc2c(cn1)N(C)CC2.
What is the InChIKey of ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine?
The InChIKey is PSODTXFCQZYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-11-4-3-7-5-9(12-2)10-6-8(7)11;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine?
ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine has a molecular weight of 194.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1-methyl-2,3-dihydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157029872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).