4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione

C20H21NO3 — CID 159610114

IUPAC4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(C4CCCC4)c3C2=O)C(=O)C1
InChIInChI=1S/C20H21NO3/c1-12-9-10-16(17(22)11-12)21-19(23)15-8-4-7-14(18(15)20(21)24)13-5-2-3-6-13/h4,7-8,13,16H,1-3,5-6,9-11H2
InChIKeyWXBHZJKVFUDSEH-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.62
Rot. Bonds2

About 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione

4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione (PubChem CID 159610114) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
PubChem CID159610114
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(C4CCCC4)c3C2=O)C(=O)C1
InChIInChI=1S/C20H21NO3/c1-12-9-10-16(17(22)11-12)21-19(23)15-8-4-7-14(18(15)20(21)24)13-5-2-3-6-13/h4,7-8,13,16H,1-3,5-6,9-11H2
InChIKeyWXBHZJKVFUDSEH-UHFFFAOYSA-N
XLogP3.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(1R)-4-methylidene-2-oxocycloheptyl]isoindole-1,3-dione
CID 157438248
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
1,1,3-trimethyl-3-[[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]methyl]urea
CID 157343152
4-(4-methyl-3-methylidene-1-oxoisoindol-2-yl)cyclohexane-1,3-dione
CID 159073499
4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione
CID 167013190
4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione
CID 158105718
4-(1-tert-butylazetidin-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162504446
3-amino-5-(4-methylidene-2-oxocycloheptyl)thieno[3,4-c]pyrrole-4,6-dione
CID 157384410
2-(2,4-dioxocyclohexyl)-4-nitroisoindole-1,3-dione
CID 159665010
2-(2,4-dioxocyclohexyl)-4-ethoxyisoindole-1,3-dione
CID 162711688
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
3-isocyano-5-[(1S)-4-methylidene-2-oxocycloheptyl]thieno[3,4-c]pyrrole-4,6-dione
CID 159942183

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
The IUPAC name of 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione (CID 159610114) is 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione.
What is the SMILES notation for 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
The canonical SMILES for 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(C4CCCC4)c3C2=O)C(=O)C1.
What is the InChIKey of 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
The InChIKey is WXBHZJKVFUDSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12-9-10-16(17(22)11-12)21-19(23)15-8-4-7-14(18(15)20(21)24)13-5-2-3-6-13/h4,7-8,13,16H,1-3,5-6,9-11H2.
What are the key properties of 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione?
4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione has a molecular weight of 323.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione is sourced from PubChem (CID 159610114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).