5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione

C15H16N2O2 — CID 89153955

IUPAC5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione
SMILESC=C/C=C\C=C/CN1C(=O)C2=CCC(N)C=C2C1=O
InChIInChI=1S/C15H16N2O2/c1-2-3-4-5-6-9-17-14(18)12-8-7-11(16)10-13(12)15(17)19/h2-6,8,10-11H,1,7,9,16H2/b4-3-,6-5-
InChIKeyFZDPDXFKFIGSKE-OUPQRBNQSA-N
MW256.31 g/mol
LogP1.24
Rot. Bonds4

About 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione

5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione (PubChem CID 89153955) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione
PubChem CID89153955
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione
SMILESC=C/C=C\C=C/CN1C(=O)C2=CCC(N)C=C2C1=O
InChIInChI=1S/C15H16N2O2/c1-2-3-4-5-6-9-17-14(18)12-8-7-11(16)10-13(12)15(17)19/h2-6,8,10-11H,1,7,9,16H2/b4-3-,6-5-
InChIKeyFZDPDXFKFIGSKE-OUPQRBNQSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.24
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 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione (CID 89153955) is 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione is C=C/C=C\C=C/CN1C(=O)C2=CCC(N)C=C2C1=O.
What is the InChIKey of 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione?
The InChIKey is FZDPDXFKFIGSKE-OUPQRBNQSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-3-4-5-6-9-17-14(18)12-8-7-11(16)10-13(12)15(17)19/h2-6,8,10-11H,1,7,9,16H2/b4-3-,6-5-.
What are the key properties of 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione?
5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione has a molecular weight of 256.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione is sourced from PubChem (CID 89153955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).