(2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate

C16H21NO4 — CID 89182431

IUPAC(2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate
SMILESCC1C2CC/C=C\CCC2C1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H21NO4/c1-10-11-6-4-2-3-5-7-12(11)15(10)16(20)21-17-13(18)8-9-14(17)19/h2-3,10-12,15H,4-9H2,1H3/b3-2-
InChIKeyGPSBCSUKAORRNW-IHWYPQMZSA-N
MW291.35 g/mol
LogP2.22
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate

(2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate (PubChem CID 89182431) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate
PubChem CID89182431
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate
SMILESCC1C2CC/C=C\CCC2C1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H21NO4/c1-10-11-6-4-2-3-5-7-12(11)15(10)16(20)21-17-13(18)8-9-14(17)19/h2-3,10-12,15H,4-9H2,1H3/b3-2-
InChIKeyGPSBCSUKAORRNW-IHWYPQMZSA-N
XLogP2.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate (CID 89182431) is (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate is CC1C2CC/C=C\CCC2C1C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate?
The InChIKey is GPSBCSUKAORRNW-IHWYPQMZSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-11-6-4-2-3-5-7-12(11)15(10)16(20)21-17-13(18)8-9-14(17)19/h2-3,10-12,15H,4-9H2,1H3/b3-2-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (4E)-10-methylbicyclo[6.2.0]dec-4-ene-9-carboxylate is sourced from PubChem (CID 89182431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).