ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine

C13H18N2O — CID 144600618

IUPACethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine
SMILESCC.Cc1cn(C2COC2)c2ccncc12
InChIInChI=1S/C11H12N2O.C2H6/c1-8-5-13(9-6-14-7-9)11-2-3-12-4-10(8)11;1-2/h2-5,9H,6-7H2,1H3;1-2H3
InChIKeyBASYCHTVWQXSLU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.94
Rot. Bonds1

About ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine

ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine (PubChem CID 144600618) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine
PubChem CID144600618
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine
SMILESCC.Cc1cn(C2COC2)c2ccncc12
InChIInChI=1S/C11H12N2O.C2H6/c1-8-5-13(9-6-14-7-9)11-2-3-12-4-10(8)11;1-2/h2-5,9H,6-7H2,1H3;1-2H3
InChIKeyBASYCHTVWQXSLU-UHFFFAOYSA-N
XLogP2.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine (CID 144600618) is ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine is CC.Cc1cn(C2COC2)c2ccncc12.
What is the InChIKey of ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine?
The InChIKey is BASYCHTVWQXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-8-5-13(9-6-14-7-9)11-2-3-12-4-10(8)11;1-2/h2-5,9H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine?
ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine has a molecular weight of 218.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 144600618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).