5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride

C14H17Cl2NO2 — CID 3071828

IUPAC5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCCC1
InChIInChI=1S/C14H16ClNO2.ClH/c15-11-5-3-10(4-6-11)13-9-12(14(17)18-13)16-7-1-2-8-16;/h3-6,12-13H,1-2,7-9H2;1H
InChIKeyIHUSJFRRHPQLNC-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.21
Rot. Bonds2

About 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride

5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride (PubChem CID 3071828) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride
PubChem CID3071828
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCCC1
InChIInChI=1S/C14H16ClNO2.ClH/c15-11-5-3-10(4-6-11)13-9-12(14(17)18-13)16-7-1-2-8-16;/h3-6,12-13H,1-2,7-9H2;1H
InChIKeyIHUSJFRRHPQLNC-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride (CID 3071828) is 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride?
The InChIKey is IHUSJFRRHPQLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2.ClH/c15-11-5-3-10(4-6-11)13-9-12(14(17)18-13)16-7-1-2-8-16;/h3-6,12-13H,1-2,7-9H2;1H.
What are the key properties of 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride has a molecular weight of 302.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one;hydrochloride is sourced from PubChem (CID 3071828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).