5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride

C13H17Cl2NO3 — CID 3071826

IUPAC5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1NCCCO
InChIInChI=1S/C13H16ClNO3.ClH/c14-10-4-2-9(3-5-10)12-8-11(13(17)18-12)15-6-1-7-16;/h2-5,11-12,15-16H,1,6-8H2;1H
InChIKeyCJGDSGCWRLKGBV-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.09
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride

5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride (PubChem CID 3071826) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride
PubChem CID3071826
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1NCCCO
InChIInChI=1S/C13H16ClNO3.ClH/c14-10-4-2-9(3-5-10)12-8-11(13(17)18-12)15-6-1-7-16;/h2-5,11-12,15-16H,1,6-8H2;1H
InChIKeyCJGDSGCWRLKGBV-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride (CID 3071826) is 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccc(Cl)cc2)CC1NCCCO.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride?
The InChIKey is CJGDSGCWRLKGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3.ClH/c14-10-4-2-9(3-5-10)12-8-11(13(17)18-12)15-6-1-7-16;/h2-5,11-12,15-16H,1,6-8H2;1H.
What are the key properties of 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride has a molecular weight of 306.19 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one;hydrochloride is sourced from PubChem (CID 3071826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).