(3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione

C19H21NO2 — CID 145348908

IUPAC(3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione
SMILESC=C/C=C(C=C)\C=C/C.CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO2.C9H12/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-4-7-9(6-3)8-5-2/h3-6H,2H2,1H3;4-8H,1,3H2,2H3/b;8-5-,9-7-
InChIKeyGOWUFUBIFXZHDR-KLDAKGPYSA-N
MW295.38 g/mol
LogP4.16
Rot. Bonds4

About (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione

(3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione (PubChem CID 145348908) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione.

Molecular Properties

Compound Name(3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione
PubChem CID145348908
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione
SMILESC=C/C=C(C=C)\C=C/C.CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO2.C9H12/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-4-7-9(6-3)8-5-2/h3-6H,2H2,1H3;4-8H,1,3H2,2H3/b;8-5-,9-7-
InChIKeyGOWUFUBIFXZHDR-KLDAKGPYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
ethane;bis(2-ethylisoindole-1,3-dione);bis(1-ethylpyrrole-2,5-dione);propane
CID 165095796
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-methylidenebut-3-en-1-amine;2-(2-methylidenebut-3-enyl)isoindole-1,3-dione;hydrate
CID 159094001
2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
CID 143563260
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-2-phenylisoindol-1-one
CID 139447254
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 160765942
azidoethane;ethanol;2-ethylisoindole-1,3-dione;propanal;propane
CID 159332853
hydron;2-propylisoindole-1,3-dione
CID 174827386

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione?
The IUPAC name of (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione (CID 145348908) is (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione.
What is the SMILES notation for (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione?
The canonical SMILES for (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione is C=C/C=C(C=C)\C=C/C.CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione?
The InChIKey is GOWUFUBIFXZHDR-KLDAKGPYSA-N. The full InChI is InChI=1S/C10H9NO2.C9H12/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-4-7-9(6-3)8-5-2/h3-6H,2H2,1H3;4-8H,1,3H2,2H3/b;8-5-,9-7-.
What are the key properties of (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione?
(3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione has a molecular weight of 295.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-ethenylhepta-1,3,5-triene;2-ethylisoindole-1,3-dione is sourced from PubChem (CID 145348908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).