methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate

C9H11NO5 — CID 54320971

IUPACmethyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C=C1C(=O)NCC1C(=O)OC
InChIInChI=1S/C9H11NO5/c1-14-7(11)3-5-6(9(13)15-2)4-10-8(5)12/h3,6H,4H2,1-2H3,(H,10,12)
InChIKeySRQAQOYGXVYDEL-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.00
Rot. Bonds2

About methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate

methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate (PubChem CID 54320971) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate
PubChem CID54320971
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Namemethyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C=C1C(=O)NCC1C(=O)OC
InChIInChI=1S/C9H11NO5/c1-14-7(11)3-5-6(9(13)15-2)4-10-8(5)12/h3,6H,4H2,1-2H3,(H,10,12)
InChIKeySRQAQOYGXVYDEL-UHFFFAOYSA-N
XLogP-1.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Tetrahydropyrano[3,4-c]pyrrole-1,6-dione
CID 172407460
dimethyl (2Z)-2-[2-(3,3-dimethylbutylamino)-2-oxoethylidene]butanedioate
CID 88860049
dimethyl (2Z)-2-[2-(butylamino)-2-oxoethylidene]butanedioate
CID 88862462
Methyl 3-[2-oxo-4-(oxomethylidene)pyrrolidin-3-yl]prop-2-enoate
CID 141185038
Dimethyl 2-methylidenebutanedioate;methyl 5-oxopyrrolidine-3-carboxylate
CID 158768985
dimethyl (1R,4S)-3-oxo-2-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate
CID 21796748

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate (CID 54320971) is methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate is COC(=O)C=C1C(=O)NCC1C(=O)OC.
What is the InChIKey of methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SRQAQOYGXVYDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-14-7(11)3-5-6(9(13)15-2)4-10-8(5)12/h3,6H,4H2,1-2H3,(H,10,12).
What are the key properties of methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate?
methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 213.19 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-2-oxoethylidene)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 54320971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).