(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate

C15H16N2O6 — CID 2085740

IUPAC(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O6/c18-14(16-7-9-22-10-8-16)11-23-15(19)6-3-12-1-4-13(5-2-12)17(20)21/h1-6H,7-11H2/b6-3+
InChIKeyVZUPIYJZIMKEEN-ZZXKWVIFSA-N
MW320.30 g/mol
LogP1.01
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate

(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate (PubChem CID 2085740) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
PubChem CID2085740
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O6/c18-14(16-7-9-22-10-8-16)11-23-15(19)6-3-12-1-4-13(5-2-12)17(20)21/h1-6H,7-11H2/b6-3+
InChIKeyVZUPIYJZIMKEEN-ZZXKWVIFSA-N
XLogP1.01
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate (CID 2085740) is (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
The InChIKey is VZUPIYJZIMKEEN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H16N2O6/c18-14(16-7-9-22-10-8-16)11-23-15(19)6-3-12-1-4-13(5-2-12)17(20)21/h1-6H,7-11H2/b6-3+.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate?
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate has a molecular weight of 320.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) (E)-3-(4-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 2085740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).