3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione

C11H10N2O4 — CID 165109067

IUPAC3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CN2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C11H10N2O4/c1-6-3-8(14)12(10(6)16)5-13-9(15)4-7(2)11(13)17/h1-5H2
InChIKeyJTIMVMPDSLZMFK-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.43
Rot. Bonds2

About 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione

3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 165109067) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID165109067
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CN2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C11H10N2O4/c1-6-3-8(14)12(10(6)16)5-13-9(15)4-7(2)11(13)17/h1-5H2
InChIKeyJTIMVMPDSLZMFK-UHFFFAOYSA-N
XLogP-0.43
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.43
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

1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
CID 142439649
3-methylidene-1-(3-methylidene-2,5-dioxopyrrolidin-1-yl)oxypyrrolidine-2,5-dione
CID 143820346
1-ethynyl-3-methylidenepyrrolidine-2,5-dione
CID 164846198
3-methyl-1-[[3-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrrole-2,5-dione
CID 101148281
N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59281651
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
1-(2,6-diethylphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449115
methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 162091684
2-methylidenecyclopropan-1-one
CID 19064098
3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 155351156
2-hexyl-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione
CID 21490781
3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione
CID 139892071

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione (CID 165109067) is 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione is C=C1CC(=O)N(CN2C(=O)CC(=C)C2=O)C1=O.
What is the InChIKey of 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is JTIMVMPDSLZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6-3-8(14)12(10(6)16)5-13-9(15)4-7(2)11(13)17/h1-5H2.
What are the key properties of 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione?
3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 234.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 165109067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).