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

C13H17Cl2NO2 — CID 3071820

IUPAC5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride
SMILESCC(C)NC1CC(c2ccc(Cl)cc2)OC1=O.Cl
InChIInChI=1S/C13H16ClNO2.ClH/c1-8(2)15-11-7-12(17-13(11)16)9-3-5-10(14)6-4-9;/h3-6,8,11-12,15H,7H2,1-2H3;1H
InChIKeyPTZCVOVBDOCDOU-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.12
Rot. Bonds3

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

5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride (PubChem CID 3071820) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride
PubChem CID3071820
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride
SMILESCC(C)NC1CC(c2ccc(Cl)cc2)OC1=O.Cl
InChIInChI=1S/C13H16ClNO2.ClH/c1-8(2)15-11-7-12(17-13(11)16)9-3-5-10(14)6-4-9;/h3-6,8,11-12,15H,7H2,1-2H3;1H
InChIKeyPTZCVOVBDOCDOU-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 54580820
CID 54580820
CID 54587696
CID 54587696
CID 15588874
CID 15588874
CID 3071822
CID 3071822
CID 3071824
CID 3071824
CID 3071826
CID 3071826
CID 3071828
CID 3071828
CID 3071830
CID 3071830
CID 3071832
CID 3071832
CID 3071834
CID 3071834
CID 3079175
CID 3079175
CID 3230482
CID 3230482

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride (CID 3071820) is 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride is CC(C)NC1CC(c2ccc(Cl)cc2)OC1=O.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride?
The InChIKey is PTZCVOVBDOCDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2.ClH/c1-8(2)15-11-7-12(17-13(11)16)9-3-5-10(14)6-4-9;/h3-6,8,11-12,15H,7H2,1-2H3;1H.
What are the key properties of 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(propan-2-ylamino)oxolan-2-one;hydrochloride is sourced from PubChem (CID 3071820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).