butanamide;pyrrole-2,5-dione

C8H12N2O3 — CID 69042971

IUPACbutanamide;pyrrole-2,5-dione
SMILESCCCC(N)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C4H9NO/c6-3-1-2-4(7)5-3;1-2-3-4(5)6/h1-2H,(H,5,6,7);2-3H2,1H3,(H2,5,6)
InChIKeyMYWYJEJXTHGQII-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.53
Rot. Bonds2

About butanamide;pyrrole-2,5-dione

butanamide;pyrrole-2,5-dione (PubChem CID 69042971) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is butanamide;pyrrole-2,5-dione.

Molecular Properties

Compound Namebutanamide;pyrrole-2,5-dione
PubChem CID69042971
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Namebutanamide;pyrrole-2,5-dione
SMILESCCCC(N)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C4H9NO/c6-3-1-2-4(7)5-3;1-2-3-4(5)6/h1-2H,(H,5,6,7);2-3H2,1H3,(H2,5,6)
InChIKeyMYWYJEJXTHGQII-UHFFFAOYSA-N
XLogP-0.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanamide;pyrrole-2,5-dione?
The IUPAC name of butanamide;pyrrole-2,5-dione (CID 69042971) is butanamide;pyrrole-2,5-dione.
What is the SMILES notation for butanamide;pyrrole-2,5-dione?
The canonical SMILES for butanamide;pyrrole-2,5-dione is CCCC(N)=O.O=C1C=CC(=O)N1.
What is the InChIKey of butanamide;pyrrole-2,5-dione?
The InChIKey is MYWYJEJXTHGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C4H9NO/c6-3-1-2-4(7)5-3;1-2-3-4(5)6/h1-2H,(H,5,6,7);2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide;pyrrole-2,5-dione?
butanamide;pyrrole-2,5-dione has a molecular weight of 184.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;pyrrole-2,5-dione is sourced from PubChem (CID 69042971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).