bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)

C90H156N8O14 — CID 161120114

IUPACbis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
SMILESC=C1C(C(C)C)C(C(C)C)C(=O)N1C.C=C1C(C(C)C)C(C(C)C)C(=O)N1C.CC(C)C1CC(=O)N(C(C)C)C1=O.CC(C)C1CC(=O)N(C(C)C)C1=O.CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/2C12H21NO2.2C12H21NO.2C11H19NO2.2C10H17NO2/c2*1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)10-9(5)13(6)12(14)11(10)8(3)4;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14;2*1-6(2)8-5-9(12)11(7(3)4)10(8)13/h2*7-10H,6H2,1-5H3;2*7-8,10-11H,5H2,1-4,6H3;2*7-9H,5-6H2,1-4H3;2*6-8H,5H2,1-4H3
InChIKeyUKVLBJQQVDBMFD-UHFFFAOYSA-N
MW1574.28 g/mol
LogP15.36
Rot. Bonds20

About bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)

bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (PubChem CID 161120114) has the molecular formula C90H156N8O14 and a molecular weight of 1574.28 g/mol. Its IUPAC name is bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione).

Molecular Properties

Compound Namebis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
PubChem CID161120114
Molecular FormulaC90H156N8O14
Molecular Weight1574.28 g/mol
Exact Mass1573.17
IUPAC Namebis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
SMILESC=C1C(C(C)C)C(C(C)C)C(=O)N1C.C=C1C(C(C)C)C(C(C)C)C(=O)N1C.CC(C)C1CC(=O)N(C(C)C)C1=O.CC(C)C1CC(=O)N(C(C)C)C1=O.CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/2C12H21NO2.2C12H21NO.2C11H19NO2.2C10H17NO2/c2*1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)10-9(5)13(6)12(14)11(10)8(3)4;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14;2*1-6(2)8-5-9(12)11(7(3)4)10(8)13/h2*7-10H,6H2,1-5H3;2*7-8,10-11H,5H2,1-4,6H3;2*7-9H,5-6H2,1-4H3;2*6-8H,5H2,1-4H3
InChIKeyUKVLBJQQVDBMFD-UHFFFAOYSA-N
XLogP15.36
TPSA264.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.28
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
The IUPAC name of bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (CID 161120114) is bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione).
What is the SMILES notation for bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
The canonical SMILES for bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) is C=C1C(C(C)C)C(C(C)C)C(=O)N1C.C=C1C(C(C)C)C(C(C)C)C(=O)N1C.CC(C)C1CC(=O)N(C(C)C)C1=O.CC(C)C1CC(=O)N(C(C)C)C1=O.CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
The InChIKey is UKVLBJQQVDBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21NO2.2C12H21NO.2C11H19NO2.2C10H17NO2/c2*1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)10-9(5)13(6)12(14)11(10)8(3)4;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14;2*1-6(2)8-5-9(12)11(7(3)4)10(8)13/h2*7-10H,6H2,1-5H3;2*7-8,10-11H,5H2,1-4,6H3;2*7-9H,5-6H2,1-4H3;2*6-8H,5H2,1-4H3.
What are the key properties of bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) has a molecular weight of 1574.28 g/mol, XLogP of 15.36, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-di(propan-2-yl)pyrrolidine-2,5-dione);bis(1-methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one);bis(1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione);bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) is sourced from PubChem (CID 161120114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).