(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate

C13H15NO5 — CID 116819425

IUPAC(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
SMILESCOc1cc(OC)cc(OC(=O)N2CCC(=O)C2)c1
InChIInChI=1S/C13H15NO5/c1-17-10-5-11(18-2)7-12(6-10)19-13(16)14-4-3-9(15)8-14/h5-7H,3-4,8H2,1-2H3
InChIKeyWHDQMKAZTYZHGM-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.48
Rot. Bonds3

About (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate

(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate (PubChem CID 116819425) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
PubChem CID116819425
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
SMILESCOc1cc(OC)cc(OC(=O)N2CCC(=O)C2)c1
InChIInChI=1S/C13H15NO5/c1-17-10-5-11(18-2)7-12(6-10)19-13(16)14-4-3-9(15)8-14/h5-7H,3-4,8H2,1-2H3
InChIKeyWHDQMKAZTYZHGM-UHFFFAOYSA-N
XLogP1.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
The IUPAC name of (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate (CID 116819425) is (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate is COc1cc(OC)cc(OC(=O)N2CCC(=O)C2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
The InChIKey is WHDQMKAZTYZHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-10-5-11(18-2)7-12(6-10)19-13(16)14-4-3-9(15)8-14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate?
(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 116819425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).