4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane

C55H68N6O7 — CID 165070721

About 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane

4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane (PubChem CID 165070721) has the molecular formula C55H68N6O7 and a molecular weight of 925.18 g/mol. Its IUPAC name is 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
• PubChem CID: 165070721
• Molecular Formula: C55H68N6O7
• Molecular Weight: 925.18 g/mol
• Exact Mass: 924.51
• IUPAC Name: 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
• SMILES: C.C=C1CCC(N2C(=O)c3cccc(C(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1.C=C1CCC(N2Cc3cccc(C(C)(C)C)c3C2=O)C(=O)N1
• InChI: InChI=1S/C18H20N2O3.2C18H22N2O2.CH4/c1-10-8-9-13(15(21)19-10)20-16(22)11-6-5-7-12(18(2,3)4)14(11)17(20)23;1-11-8-9-15(16(21)19-11)20-10-13-12(17(20)22)6-5-7-14(13)18(2,3)4;1-11-8-9-14(16(21)19-11)20-10-12-6-5-7-13(18(2,3)4)15(12)17(20)22;/h5-7,13H,1,8-9H2,2-4H3,(H,19,21);5-7,15H,1,8-10H2,2-4H3,(H,19,21);5-7,14H,1,8-10H2,2-4H3,(H,19,21);1H4
• InChIKey: SSBADBHAZDWDOK-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 165.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.18
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?

The IUPAC name of 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane (CID 165070721) is 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane.

What is the SMILES notation for 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?

The canonical SMILES for 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane is C.C=C1CCC(N2C(=O)c3cccc(C(C)(C)C)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1.C=C1CCC(N2Cc3cccc(C(C)(C)C)c3C2=O)C(=O)N1.

What is the InChIKey of 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?

The InChIKey is SSBADBHAZDWDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.2C18H22N2O2.CH4/c1-10-8-9-13(15(21)19-10)20-16(22)11-6-5-7-12(18(2,3)4)14(11)17(20)23;1-11-8-9-15(16(21)19-11)20-10-13-12(17(20)22)6-5-7-14(13)18(2,3)4;1-11-8-9-14(16(21)19-11)20-10-12-6-5-7-13(18(2,3)4)15(12)17(20)22;/h5-7,13H,1,8-9H2,2-4H3,(H,19,21);5-7,15H,1,8-10H2,2-4H3,(H,19,21);5-7,14H,1,8-10H2,2-4H3,(H,19,21);1H4.

What are the key properties of 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?

4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane has a molecular weight of 925.18 g/mol, XLogP of 8.47, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane is sourced from PubChem (CID 165070721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).