6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C24H30N2O5 — CID 158345725

IUPAC6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(/C=C\C2CC(C=C)C3C(=O)N(CCOC)C(=O)C23)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C24H30N2O5/c1-5-13-11-15(19-17(13)21(27)25(3)22(19)28)7-8-16-12-14(6-2)18-20(16)24(30)26(23(18)29)9-10-31-4/h5-8,13-20H,1-2,9-12H2,3-4H3/b8-7-
InChIKeyFNJDSIAUPQJAGR-FPLPWBNLSA-N
MW426.51 g/mol
LogP1.67
Rot. Bonds7

About 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 158345725) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID158345725
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=CC1CC(/C=C\C2CC(C=C)C3C(=O)N(CCOC)C(=O)C23)C2C(=O)N(C)C(=O)C12
InChIInChI=1S/C24H30N2O5/c1-5-13-11-15(19-17(13)21(27)25(3)22(19)28)7-8-16-12-14(6-2)18-20(16)24(30)26(23(18)29)9-10-31-4/h5-8,13-20H,1-2,9-12H2,3-4H3/b8-7-
InChIKeyFNJDSIAUPQJAGR-FPLPWBNLSA-N
XLogP1.67
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 158345725) is 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C=CC1CC(/C=C\C2CC(C=C)C3C(=O)N(CCOC)C(=O)C23)C2C(=O)N(C)C(=O)C12.
What is the InChIKey of 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is FNJDSIAUPQJAGR-FPLPWBNLSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-5-13-11-15(19-17(13)21(27)25(3)22(19)28)7-8-16-12-14(6-2)18-20(16)24(30)26(23(18)29)9-10-31-4/h5-8,13-20H,1-2,9-12H2,3-4H3/b8-7-.
What are the key properties of 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 426.51 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-[(Z)-2-[6-ethenyl-2-(2-methoxyethyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-4-yl]ethenyl]-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 158345725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).