(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate

C15H16N2O5 — CID 2376914

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H16N2O5/c18-14(16-9-1-2-10-16)11-22-15(19)8-5-12-3-6-13(7-4-12)17(20)21/h3-8H,1-2,9-11H2/b8-5+
InChIKeyKGPDDIYIMBGXFS-VMPITWQZSA-N
MW304.30 g/mol
LogP1.77
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate

(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate (PubChem CID 2376914) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
PubChem CID2376914
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C15H16N2O5/c18-14(16-9-1-2-10-16)11-22-15(19)8-5-12-3-6-13(7-4-12)17(20)21/h3-8H,1-2,9-11H2/b8-5+
InChIKeyKGPDDIYIMBGXFS-VMPITWQZSA-N
XLogP1.77
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate (CID 2376914) is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The InChIKey is KGPDDIYIMBGXFS-VMPITWQZSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-14(16-9-1-2-10-16)11-22-15(19)8-5-12-3-6-13(7-4-12)17(20)21/h3-8H,1-2,9-11H2/b8-5+.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate has a molecular weight of 304.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(4-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 2376914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).