1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)

C47H82N4O7 — CID 161271885

IUPAC1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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(CC(C)C)C(=O)N1C.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/C13H23NO.C12H21NO2.2C11H19NO2/c1-8(2)7-11-12(9(3)4)10(5)14(6)13(11)15;1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h8-9,11-12H,5,7H2,1-4,6H3;7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3
InChIKeyVDXVAYLOUGJINJ-UHFFFAOYSA-N
MW815.19 g/mol
LogP8.46
Rot. Bonds12

About 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)

1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 161271885) has the molecular formula C47H82N4O7 and a molecular weight of 815.19 g/mol. Its IUPAC name is 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 Name1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
PubChem CID161271885
Molecular FormulaC47H82N4O7
Molecular Weight815.19 g/mol
Exact Mass814.62
IUPAC Name1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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(CC(C)C)C(=O)N1C.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/C13H23NO.C12H21NO2.2C11H19NO2/c1-8(2)7-11-12(9(3)4)10(5)14(6)13(11)15;1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h8-9,11-12H,5,7H2,1-4,6H3;7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3
InChIKeyVDXVAYLOUGJINJ-UHFFFAOYSA-N
XLogP8.46
TPSA132.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.19
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (CID 161271885) is 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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(CC(C)C)C(=O)N1C.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 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 VDXVAYLOUGJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C12H21NO2.2C11H19NO2/c1-8(2)7-11-12(9(3)4)10(5)14(6)13(11)15;1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h8-9,11-12H,5,7H2,1-4,6H3;7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3.
What are the key properties of 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 815.19 g/mol, XLogP of 8.46, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;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 161271885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).