dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate

C15H17NO7 — CID 16638014

IUPACdimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate
SMILESCOC(=O)C1OCC(N=O)(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C15H17NO7/c1-20-10-6-4-9(5-7-10)11-12(13(17)21-2)23-8-15(11,16-19)14(18)22-3/h4-7,11-12H,8H2,1-3H3
InChIKeyUUIRJVDEINFZQQ-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.03
Rot. Bonds5

About dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate

dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate (PubChem CID 16638014) has the molecular formula C15H17NO7 and a molecular weight of 323.30 g/mol. Its IUPAC name is dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate
PubChem CID16638014
Molecular FormulaC15H17NO7
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Namedimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate
SMILESCOC(=O)C1OCC(N=O)(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C15H17NO7/c1-20-10-6-4-9(5-7-10)11-12(13(17)21-2)23-8-15(11,16-19)14(18)22-3/h4-7,11-12H,8H2,1-3H3
InChIKeyUUIRJVDEINFZQQ-UHFFFAOYSA-N
XLogP1.03
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate (CID 16638014) is dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate is COC(=O)C1OCC(N=O)(C(=O)OC)C1c1ccc(OC)cc1.
What is the InChIKey of dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate?
The InChIKey is UUIRJVDEINFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO7/c1-20-10-6-4-9(5-7-10)11-12(13(17)21-2)23-8-15(11,16-19)14(18)22-3/h4-7,11-12H,8H2,1-3H3.
What are the key properties of dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate?
dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate has a molecular weight of 323.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(4-methoxyphenyl)-4-nitrosooxolane-2,4-dicarboxylate is sourced from PubChem (CID 16638014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).