ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate

C15H19NO4 — CID 130231648

IUPACethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate
SMILESC=CC1CC(C=C)C2C(=O)N(CC(=O)OCC)C(=O)C12
InChIInChI=1S/C15H19NO4/c1-4-9-7-10(5-2)13-12(9)14(18)16(15(13)19)8-11(17)20-6-3/h4-5,9-10,12-13H,1-2,6-8H2,3H3
InChIKeyLVTNWBKUCYWMRV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate

ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate (PubChem CID 130231648) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate
PubChem CID130231648
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate
SMILESC=CC1CC(C=C)C2C(=O)N(CC(=O)OCC)C(=O)C12
InChIInChI=1S/C15H19NO4/c1-4-9-7-10(5-2)13-12(9)14(18)16(15(13)19)8-11(17)20-6-3/h4-5,9-10,12-13H,1-2,6-8H2,3H3
InChIKeyLVTNWBKUCYWMRV-UHFFFAOYSA-N
XLogP1.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.16
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'}

Analyze ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate 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 ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate?
The IUPAC name of ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate (CID 130231648) is ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate is C=CC1CC(C=C)C2C(=O)N(CC(=O)OCC)C(=O)C12.
What is the InChIKey of ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate?
The InChIKey is LVTNWBKUCYWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-9-7-10(5-2)13-12(9)14(18)16(15(13)19)8-11(17)20-6-3/h4-5,9-10,12-13H,1-2,6-8H2,3H3.
What are the key properties of ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate?
ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate is sourced from PubChem (CID 130231648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).