1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione

C19H22N2O2 — CID 166782159

IUPAC1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione
SMILESC=C/C(=C\C=C/C)N/C(C=C)=C/C=C(\C=C)N1C(=O)CCC1=O
InChIInChI=1S/C19H22N2O2/c1-5-9-10-15(6-2)20-16(7-3)11-12-17(8-4)21-18(22)13-14-19(21)23/h5-12,20H,2-4,13-14H2,1H3/b9-5-,15-10+,16-11+,17-12+
InChIKeyDDGGHNANWXPXTI-SXURMPGGSA-N
MW310.40 g/mol
LogP3.51
Rot. Bonds8

About 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione

1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione (PubChem CID 166782159) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione
PubChem CID166782159
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione
SMILESC=C/C(=C\C=C/C)N/C(C=C)=C/C=C(\C=C)N1C(=O)CCC1=O
InChIInChI=1S/C19H22N2O2/c1-5-9-10-15(6-2)20-16(7-3)11-12-17(8-4)21-18(22)13-14-19(21)23/h5-12,20H,2-4,13-14H2,1H3/b9-5-,15-10+,16-11+,17-12+
InChIKeyDDGGHNANWXPXTI-SXURMPGGSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione (CID 166782159) is 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione is C=C/C(=C\C=C/C)N/C(C=C)=C/C=C(\C=C)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione?
The InChIKey is DDGGHNANWXPXTI-SXURMPGGSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-5-9-10-15(6-2)20-16(7-3)11-12-17(8-4)21-18(22)13-14-19(21)23/h5-12,20H,2-4,13-14H2,1H3/b9-5-,15-10+,16-11+,17-12+.
What are the key properties of 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione?
1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione has a molecular weight of 310.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 166782159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).