7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride

C11H14ClNO2 — CID 126844423

IUPAC7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
SMILESCOc1cccc2c1OC1(CNC1)C2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-13-9-4-2-3-8-5-11(6-12-7-11)14-10(8)9;/h2-4,12H,5-7H2,1H3;1H
InChIKeyXAMISWXSQCEMSL-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.39
Rot. Bonds1

About 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride

7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride (PubChem CID 126844423) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride.

Molecular Properties

Compound Name7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
PubChem CID126844423
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
SMILESCOc1cccc2c1OC1(CNC1)C2.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-13-9-4-2-3-8-5-11(6-12-7-11)14-10(8)9;/h2-4,12H,5-7H2,1H3;1H
InChIKeyXAMISWXSQCEMSL-UHFFFAOYSA-N
XLogP1.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride?
The IUPAC name of 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride (CID 126844423) is 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride.
What is the SMILES notation for 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride?
The canonical SMILES for 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride is COc1cccc2c1OC1(CNC1)C2.Cl.
What is the InChIKey of 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride?
The InChIKey is XAMISWXSQCEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-13-9-4-2-3-8-5-11(6-12-7-11)14-10(8)9;/h2-4,12H,5-7H2,1H3;1H.
What are the key properties of 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride?
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride is sourced from PubChem (CID 126844423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).