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

C14H17Cl2NO3 — CID 3028404

IUPAC5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCOCC1
InChIInChI=1S/C14H16ClNO3.ClH/c15-11-3-1-10(2-4-11)13-9-12(14(17)19-13)16-5-7-18-8-6-16;/h1-4,12-13H,5-9H2;1H
InChIKeyRGNYZSVWZUNVAI-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.45
Rot. Bonds2

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

5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride (PubChem CID 3028404) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride
PubChem CID3028404
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCOCC1
InChIInChI=1S/C14H16ClNO3.ClH/c15-11-3-1-10(2-4-11)13-9-12(14(17)19-13)16-5-7-18-8-6-16;/h1-4,12-13H,5-9H2;1H
InChIKeyRGNYZSVWZUNVAI-UHFFFAOYSA-N
XLogP2.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride (CID 3028404) is 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCOCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride?
The InChIKey is RGNYZSVWZUNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3.ClH/c15-11-3-1-10(2-4-11)13-9-12(14(17)19-13)16-5-7-18-8-6-16;/h1-4,12-13H,5-9H2;1H.
What are the key properties of 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride has a molecular weight of 318.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-morpholin-4-yloxolan-2-one;hydrochloride is sourced from PubChem (CID 3028404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).