2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C19H19NO3 — CID 134123409

IUPAC2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCC1(C)C=Cc2cccc(N3C(=O)C4=C(CCCC4)C3=O)c2O1
InChIInChI=1S/C19H19NO3/c1-19(2)11-10-12-6-5-9-15(16(12)23-19)20-17(21)13-7-3-4-8-14(13)18(20)22/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyYTECKILRDHMYMI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.61
Rot. Bonds1

About 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 134123409) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID134123409
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCC1(C)C=Cc2cccc(N3C(=O)C4=C(CCCC4)C3=O)c2O1
InChIInChI=1S/C19H19NO3/c1-19(2)11-10-12-6-5-9-15(16(12)23-19)20-17(21)13-7-3-4-8-14(13)18(20)22/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyYTECKILRDHMYMI-UHFFFAOYSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 134123409) is 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is CC1(C)C=Cc2cccc(N3C(=O)C4=C(CCCC4)C3=O)c2O1.
What is the InChIKey of 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is YTECKILRDHMYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(2)11-10-12-6-5-9-15(16(12)23-19)20-17(21)13-7-3-4-8-14(13)18(20)22/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 309.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylchromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 134123409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).