butanediamide;pyrrolidine-2,5-dione

C8H13N3O4 — CID 22719144

IUPACbutanediamide;pyrrolidine-2,5-dione
SMILESNC(=O)CCC(N)=O.O=C1CCC(=O)N1
InChIInChI=1S/C4H8N2O2.C4H5NO2/c5-3(7)1-2-4(6)8;6-3-1-2-4(7)5-3/h1-2H2,(H2,5,7)(H2,6,8);1-2H2,(H,5,6,7)
InChIKeyGLOMEHVOOBAHKR-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.84
Rot. Bonds3

About butanediamide;pyrrolidine-2,5-dione

butanediamide;pyrrolidine-2,5-dione (PubChem CID 22719144) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is butanediamide;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namebutanediamide;pyrrolidine-2,5-dione
PubChem CID22719144
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Namebutanediamide;pyrrolidine-2,5-dione
SMILESNC(=O)CCC(N)=O.O=C1CCC(=O)N1
InChIInChI=1S/C4H8N2O2.C4H5NO2/c5-3(7)1-2-4(6)8;6-3-1-2-4(7)5-3/h1-2H2,(H2,5,7)(H2,6,8);1-2H2,(H,5,6,7)
InChIKeyGLOMEHVOOBAHKR-UHFFFAOYSA-N
XLogP-1.84
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Succinimide
CID 11439
Triethylstannylsuccinimide
CID 3016829
Fluorosuccinimide
CID 19930453
Succinimide hydrochloride
CID 21474954
Pyrrolidin-1-ium-2,5-dione chloride
CID 101366629
Succinimide-15N
CID 16213481
5-Hydroxy-3,4-dihydro-2H-pyrrol-2-one--mercury (1/1)
CID 24182463
Ethylstannylsuccinimide
CID 129779820
(5-Oxoniumylidenepyrrolidin-1-ium-2-ylidene)oxidanium chloride
CID 134855889
(5-Oxoniumylidenepyrrolidin-2-ylidene)oxidanium
CID 134974680
Hydrazine;pyrrolidine-2,5-dione
CID 18349325
CID 18362525
CID 18362525

Frequently Asked Questions

What is the IUPAC name of butanediamide;pyrrolidine-2,5-dione?
The IUPAC name of butanediamide;pyrrolidine-2,5-dione (CID 22719144) is butanediamide;pyrrolidine-2,5-dione.
What is the SMILES notation for butanediamide;pyrrolidine-2,5-dione?
The canonical SMILES for butanediamide;pyrrolidine-2,5-dione is NC(=O)CCC(N)=O.O=C1CCC(=O)N1.
What is the InChIKey of butanediamide;pyrrolidine-2,5-dione?
The InChIKey is GLOMEHVOOBAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.C4H5NO2/c5-3(7)1-2-4(6)8;6-3-1-2-4(7)5-3/h1-2H2,(H2,5,7)(H2,6,8);1-2H2,(H,5,6,7).
What are the key properties of butanediamide;pyrrolidine-2,5-dione?
butanediamide;pyrrolidine-2,5-dione has a molecular weight of 215.21 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanediamide;pyrrolidine-2,5-dione is sourced from PubChem (CID 22719144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).