(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate

C15H15Cl2NO3 — CID 78763925

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate
SMILESO=C(C=Cc1c(Cl)cccc1Cl)OCC(=O)N1CCCC1
InChIInChI=1S/C15H15Cl2NO3/c16-12-4-3-5-13(17)11(12)6-7-15(20)21-10-14(19)18-8-1-2-9-18/h3-7H,1-2,8-10H2
InChIKeyGXDHEYRLZRGKJA-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.17
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate (PubChem CID 78763925) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.19 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate
PubChem CID78763925
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate
SMILESO=C(C=Cc1c(Cl)cccc1Cl)OCC(=O)N1CCCC1
InChIInChI=1S/C15H15Cl2NO3/c16-12-4-3-5-13(17)11(12)6-7-15(20)21-10-14(19)18-8-1-2-9-18/h3-7H,1-2,8-10H2
InChIKeyGXDHEYRLZRGKJA-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 3-(4-fluorophenyl)prop-2-enoate
CID 5007426
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2642079
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 3472296
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022379
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6103873
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2371643
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2667600
[2-(azocan-1-yl)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 9290974
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735428
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 42965375
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate (CID 78763925) is (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate is O=C(C=Cc1c(Cl)cccc1Cl)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate?
The InChIKey is GXDHEYRLZRGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c16-12-4-3-5-13(17)11(12)6-7-15(20)21-10-14(19)18-8-1-2-9-18/h3-7H,1-2,8-10H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate has a molecular weight of 328.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,6-dichlorophenyl)prop-2-enoate is sourced from PubChem (CID 78763925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).