1-benzylazetidin-1-ium-3-ol chloride

C10H14ClNO — CID 11458298

IUPAC1-benzylazetidin-1-ium-3-ol chloride
SMILESOC1C[NH+](Cc2ccccc2)C1.[Cl-]
InChIInChI=1S/C10H13NO.ClH/c12-10-7-11(8-10)6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyJDCSQLCLIAJBBK-UHFFFAOYSA-N
MW199.68 g/mol
LogP-3.55
Rot. Bonds2

About 1-benzylazetidin-1-ium-3-ol chloride

1-benzylazetidin-1-ium-3-ol chloride (PubChem CID 11458298) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-benzylazetidin-1-ium-3-ol chloride.

Molecular Properties

Compound Name1-benzylazetidin-1-ium-3-ol chloride
PubChem CID11458298
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-benzylazetidin-1-ium-3-ol chloride
SMILESOC1C[NH+](Cc2ccccc2)C1.[Cl-]
InChIInChI=1S/C10H13NO.ClH/c12-10-7-11(8-10)6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyJDCSQLCLIAJBBK-UHFFFAOYSA-N
XLogP-3.55
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 5-3.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzylazetidin-1-ium-3-ol chloride?
The IUPAC name of 1-benzylazetidin-1-ium-3-ol chloride (CID 11458298) is 1-benzylazetidin-1-ium-3-ol chloride.
What is the SMILES notation for 1-benzylazetidin-1-ium-3-ol chloride?
The canonical SMILES for 1-benzylazetidin-1-ium-3-ol chloride is OC1C[NH+](Cc2ccccc2)C1.[Cl-].
What is the InChIKey of 1-benzylazetidin-1-ium-3-ol chloride?
The InChIKey is JDCSQLCLIAJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c12-10-7-11(8-10)6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H.
What are the key properties of 1-benzylazetidin-1-ium-3-ol chloride?
1-benzylazetidin-1-ium-3-ol chloride has a molecular weight of 199.68 g/mol, XLogP of -3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylazetidin-1-ium-3-ol chloride is sourced from PubChem (CID 11458298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).