3-(benzylamino)oxolan-2-one;hydrochloride

C11H14ClNO2 — CID 71459713

IUPAC3-(benzylamino)oxolan-2-one;hydrochloride
SMILESCl.O=C1OCCC1NCc1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c13-11-10(6-7-14-11)12-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyCCZZNDRXPAYZOX-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.51
Rot. Bonds3

About 3-(benzylamino)oxolan-2-one;hydrochloride

3-(benzylamino)oxolan-2-one;hydrochloride (PubChem CID 71459713) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-(benzylamino)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name3-(benzylamino)oxolan-2-one;hydrochloride
PubChem CID71459713
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-(benzylamino)oxolan-2-one;hydrochloride
SMILESCl.O=C1OCCC1NCc1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c13-11-10(6-7-14-11)12-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H
InChIKeyCCZZNDRXPAYZOX-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)oxolan-2-one;hydrochloride?
The IUPAC name of 3-(benzylamino)oxolan-2-one;hydrochloride (CID 71459713) is 3-(benzylamino)oxolan-2-one;hydrochloride.
What is the SMILES notation for 3-(benzylamino)oxolan-2-one;hydrochloride?
The canonical SMILES for 3-(benzylamino)oxolan-2-one;hydrochloride is Cl.O=C1OCCC1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)oxolan-2-one;hydrochloride?
The InChIKey is CCZZNDRXPAYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c13-11-10(6-7-14-11)12-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H.
What are the key properties of 3-(benzylamino)oxolan-2-one;hydrochloride?
3-(benzylamino)oxolan-2-one;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)oxolan-2-one;hydrochloride is sourced from PubChem (CID 71459713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).