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

C13H17Cl2NO2 — CID 3071822

IUPAC5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride
SMILESCCCNC1CC(c2ccc(Cl)cc2)OC1=O.Cl
InChIInChI=1S/C13H16ClNO2.ClH/c1-2-7-15-11-8-12(17-13(11)16)9-3-5-10(14)6-4-9;/h3-6,11-12,15H,2,7-8H2,1H3;1H
InChIKeyKKMHOIWUCIXWLE-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.12
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride (PubChem CID 3071822) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride
PubChem CID3071822
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride
SMILESCCCNC1CC(c2ccc(Cl)cc2)OC1=O.Cl
InChIInChI=1S/C13H16ClNO2.ClH/c1-2-7-15-11-8-12(17-13(11)16)9-3-5-10(14)6-4-9;/h3-6,11-12,15H,2,7-8H2,1H3;1H
InChIKeyKKMHOIWUCIXWLE-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S,4S)-4-[(3-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 54580820
(2S,4S)-4-[(4-chlorobenzyl)oxyl]-pyrrolidine-2-carboxylic acid
CID 54587696
5-Oxo-2-pyrrolidinepropanoic acid p-chlorobenzyl ester
CID 15588874
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-((1-methylethyl)amino)-, hydrochloride
CID 3071820
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-((2-hydroxyethyl)amino)-, hydrochloride
CID 3071824
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-((3-hydroxypropyl)amino)-, hydrochloride
CID 3071826
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(1-pyrrolidinyl)-, hydrochloride
CID 3071828
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 3071830
5-(4-Chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one--hydrogen chloride (1/2)
CID 3071832
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride
CID 3071834
2(3H)-Furanone, dihydro-3-((bis(2-methylpropyl)amino)methyl)-5-(4-chlorophenyl)-
CID 3079175
Acetic acid (4-chloro-phenyl)-cyclohexylcarbamoyl-methyl ester
CID 3230482

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride (CID 3071822) is 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride is CCCNC1CC(c2ccc(Cl)cc2)OC1=O.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride?
The InChIKey is KKMHOIWUCIXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2.ClH/c1-2-7-15-11-8-12(17-13(11)16)9-3-5-10(14)6-4-9;/h3-6,11-12,15H,2,7-8H2,1H3;1H.
What are the key properties of 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(propylamino)oxolan-2-one;hydrochloride is sourced from PubChem (CID 3071822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).