methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione

C12H16N2O4 — CID 162091684

IUPACmethane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
SMILESC.C=C1CC(=O)N(C)C1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO2.C5H5NO2.CH4/c1-4-3-5(8)7(2)6(4)9;1-6-4(7)2-3-5(6)8;/h1,3H2,2H3;2-3H,1H3;1H4
InChIKeyZDRVJZHOHOPVPL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.11
Rot. Bonds

About methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione

methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione (PubChem CID 162091684) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Namemethane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
PubChem CID162091684
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
SMILESC.C=C1CC(=O)N(C)C1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO2.C5H5NO2.CH4/c1-4-3-5(8)7(2)6(4)9;1-6-4(7)2-3-5(6)8;/h1,3H2,2H3;2-3H,1H3;1H4
InChIKeyZDRVJZHOHOPVPL-UHFFFAOYSA-N
XLogP0.11
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

diiodovanadium;1-methylpyrrole-2,5-dione
CID 162217566
methanamine;1-methylpyrrole-2,5-dione;propan-2-one
CID 91192658
1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
CID 142439649
3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 165109067
3-methylidene-1-(3-methylidene-2,5-dioxopyrrolidin-1-yl)oxypyrrolidine-2,5-dione
CID 143820346
5-cyclopropylidene-1-methylpyrrol-2-one
CID 89201564
1-methylpyrrole-2,5-dione;toluene
CID 159040601
methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine
CID 158818111
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
3,3-dimethylhexane;1-methylpyrrole-2,5-dione
CID 142903150
1,2-dimethylpyrazolidine-3,5-dione
CID 12706755
1-ethynyl-3-methylidenepyrrolidine-2,5-dione
CID 164846198

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
The IUPAC name of methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione (CID 162091684) is methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione.
What is the SMILES notation for methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
The canonical SMILES for methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione is C.C=C1CC(=O)N(C)C1=O.CN1C(=O)C=CC1=O.
What is the InChIKey of methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
The InChIKey is ZDRVJZHOHOPVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C5H5NO2.CH4/c1-4-3-5(8)7(2)6(4)9;1-6-4(7)2-3-5(6)8;/h1,3H2,2H3;2-3H,1H3;1H4.
What are the key properties of methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 162091684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).