4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione

C25H23NO5 — CID 158105718

IUPAC4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5O4)c3C2=O)C(=O)C1
InChIInChI=1S/C25H23NO5/c1-15-9-12-19(20(27)13-15)26-24(28)18-6-4-8-22(23(18)25(26)29)30-14-17-11-10-16-5-2-3-7-21(16)31-17/h2-8,17,19H,1,9-14H2
InChIKeySWARMIVWEJEIJU-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.73
Rot. Bonds4

About 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione

4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione (PubChem CID 158105718) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
PubChem CID158105718
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5O4)c3C2=O)C(=O)C1
InChIInChI=1S/C25H23NO5/c1-15-9-12-19(20(27)13-15)26-24(28)18-6-4-8-22(23(18)25(26)29)30-14-17-11-10-16-5-2-3-7-21(16)31-17/h2-8,17,19H,1,9-14H2
InChIKeySWARMIVWEJEIJU-UHFFFAOYSA-N
XLogP3.73
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-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

2-(2,4-dioxocyclohexyl)-4-ethoxyisoindole-1,3-dione
CID 162711688
4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
CID 159610114
4-amino-2-[(1R)-4-methylidene-2-oxocycloheptyl]isoindole-1,3-dione
CID 157438248
1,1,3-trimethyl-3-[[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]methyl]urea
CID 157343152
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde
CID 171073095
2-(4-methylidene-2-oxocyclohexyl)-4-phenylmethoxy-3H-isoindol-1-one
CID 147611609
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
2-(difluoromethoxymethyl)-3,4-dihydro-2H-chromene
CID 163222414
4-(4-methyl-3-methylidene-1-oxoisoindol-2-yl)cyclohexane-1,3-dione
CID 159073499
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 169257409
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione (CID 158105718) is 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5O4)c3C2=O)C(=O)C1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
The InChIKey is SWARMIVWEJEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-15-9-12-19(20(27)13-15)26-24(28)18-6-4-8-22(23(18)25(26)29)30-14-17-11-10-16-5-2-3-7-21(16)31-17/h2-8,17,19H,1,9-14H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione has a molecular weight of 417.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione is sourced from PubChem (CID 158105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).