3-amino-5-phenyloxolan-2-one;hydrochloride

C10H12ClNO2 — CID 22325480

IUPAC3-amino-5-phenyloxolan-2-one;hydrochloride
SMILESCl.NC1CC(c2ccccc2)OC1=O
InChIInChI=1S/C10H11NO2.ClH/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7;/h1-5,8-9H,6,11H2;1H
InChIKeyQFMQUEHSPOQSFT-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.42
Rot. Bonds1

About 3-amino-5-phenyloxolan-2-one;hydrochloride

3-amino-5-phenyloxolan-2-one;hydrochloride (PubChem CID 22325480) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-amino-5-phenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-phenyloxolan-2-one;hydrochloride
PubChem CID22325480
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-amino-5-phenyloxolan-2-one;hydrochloride
SMILESCl.NC1CC(c2ccccc2)OC1=O
InChIInChI=1S/C10H11NO2.ClH/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7;/h1-5,8-9H,6,11H2;1H
InChIKeyQFMQUEHSPOQSFT-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyloxolan-2-one;hydrochloride?
The IUPAC name of 3-amino-5-phenyloxolan-2-one;hydrochloride (CID 22325480) is 3-amino-5-phenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-5-phenyloxolan-2-one;hydrochloride?
The canonical SMILES for 3-amino-5-phenyloxolan-2-one;hydrochloride is Cl.NC1CC(c2ccccc2)OC1=O.
What is the InChIKey of 3-amino-5-phenyloxolan-2-one;hydrochloride?
The InChIKey is QFMQUEHSPOQSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7;/h1-5,8-9H,6,11H2;1H.
What are the key properties of 3-amino-5-phenyloxolan-2-one;hydrochloride?
3-amino-5-phenyloxolan-2-one;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 22325480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).