1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

C22H26N2O6 — CID 122575700

IUPAC1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESC=CC1OC(/C=C\C2OC(C=C)C3C(=O)N(CC)C(=O)C23)C2C(=O)N(CC)C(=O)C12
InChIInChI=1S/C22H26N2O6/c1-5-11-15-17(21(27)23(7-3)19(15)25)13(29-11)9-10-14-18-16(12(6-2)30-14)20(26)24(8-4)22(18)28/h5-6,9-18H,1-2,7-8H2,3-4H3/b10-9-
InChIKeyZLZOISGJEGMMRH-KTKRTIGZSA-N
MW414.46 g/mol
LogP0.69
Rot. Bonds6

About 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (PubChem CID 122575700) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
PubChem CID122575700
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
SMILESC=CC1OC(/C=C\C2OC(C=C)C3C(=O)N(CC)C(=O)C23)C2C(=O)N(CC)C(=O)C12
InChIInChI=1S/C22H26N2O6/c1-5-11-15-17(21(27)23(7-3)19(15)25)13(29-11)9-10-14-18-16(12(6-2)30-14)20(26)24(8-4)22(18)28/h5-6,9-18H,1-2,7-8H2,3-4H3/b10-9-
InChIKeyZLZOISGJEGMMRH-KTKRTIGZSA-N
XLogP0.69
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione (CID 122575700) is 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is C=CC1OC(/C=C\C2OC(C=C)C3C(=O)N(CC)C(=O)C23)C2C(=O)N(CC)C(=O)C12.
What is the InChIKey of 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
The InChIKey is ZLZOISGJEGMMRH-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-5-11-15-17(21(27)23(7-3)19(15)25)13(29-11)9-10-14-18-16(12(6-2)30-14)20(26)24(8-4)22(18)28/h5-6,9-18H,1-2,7-8H2,3-4H3/b10-9-.
What are the key properties of 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione?
1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione has a molecular weight of 414.46 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(Z)-2-(1-ethenyl-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-3-yl)ethenyl]-5-ethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 122575700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).