(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

C18H23NO6 — CID 2534438

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H23NO6/c1-22-14-10-13(11-15(23-2)18(14)24-3)6-7-17(21)25-12-16(20)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9,12H2,1-3H3/b7-6+
InChIKeyFWDZGIKARBSCIK-VOTSOKGWSA-N
MW349.38 g/mol
LogP1.89
Rot. Bonds7

About (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (PubChem CID 2534438) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
PubChem CID2534438
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H23NO6/c1-22-14-10-13(11-15(23-2)18(14)24-3)6-7-17(21)25-12-16(20)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9,12H2,1-3H3/b7-6+
InChIKeyFWDZGIKARBSCIK-VOTSOKGWSA-N
XLogP1.89
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (CID 2534438) is (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate is COc1cc(/C=C/C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
The InChIKey is FWDZGIKARBSCIK-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H23NO6/c1-22-14-10-13(11-15(23-2)18(14)24-3)6-7-17(21)25-12-16(20)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9,12H2,1-3H3/b7-6+.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate?
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate has a molecular weight of 349.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2534438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).