methane;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)

C50H94N4O7 — CID 167650190

IUPACmethane;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)
SMILESC.C.C.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
InChIInChI=1S/C13H23NO.C12H21NO2.2C11H19NO2.3CH4/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;3*1H4
InChIKeyQLRMQXRPDYSTHQ-UHFFFAOYSA-N
MW863.32 g/mol
LogP10.37
Rot. Bonds12

About methane;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)

methane;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 167650190) has the molecular formula C50H94N4O7 and a molecular weight of 863.32 g/mol. Its IUPAC name is methane;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 Namemethane;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 CID167650190
Molecular FormulaC50H94N4O7
Molecular Weight863.32 g/mol
Exact Mass862.71
IUPAC Namemethane;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)
SMILESC.C.C.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
InChIInChI=1S/C13H23NO.C12H21NO2.2C11H19NO2.3CH4/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;3*1H4
InChIKeyQLRMQXRPDYSTHQ-UHFFFAOYSA-N
XLogP10.37
TPSA132.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.32
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methane;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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;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 methane;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 167650190) is methane;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 methane;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 methane;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.C.C.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 methane;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 QLRMQXRPDYSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C12H21NO2.2C11H19NO2.3CH4/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;3*1H4.
What are the key properties of methane;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)?
methane;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 863.32 g/mol, XLogP of 10.37, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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 167650190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).