3-butan-2-ylpyrrole-2,5-dione

C8H11NO2 — CID 19910849

IUPAC3-butan-2-ylpyrrole-2,5-dione
SMILESCCC(C)C1=CC(=O)NC1=O
InChIInChI=1S/C8H11NO2/c1-3-5(2)6-4-7(10)9-8(6)11/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyVZAHZSOLRQLLTC-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.62
Rot. Bonds2

About 3-butan-2-ylpyrrole-2,5-dione

3-butan-2-ylpyrrole-2,5-dione (PubChem CID 19910849) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-butan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-butan-2-ylpyrrole-2,5-dione
PubChem CID19910849
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-butan-2-ylpyrrole-2,5-dione
SMILESCCC(C)C1=CC(=O)NC1=O
InChIInChI=1S/C8H11NO2/c1-3-5(2)6-4-7(10)9-8(6)11/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyVZAHZSOLRQLLTC-UHFFFAOYSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl isobutyl maleimide
CID 85864656
Cyclohexylmaleimide
CID 19810763
Butylmaleimide
CID 21880474
Propyl maleimide
CID 21880478
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CID 22721433
3-methyl-4-propyl-1H-pyrrole-2,5-dione
CID 44718966
Dimethylaminopropylmaleimide
CID 66615976
3-Cyclopropyl-1h-pyrrole-2,5-dione
CID 67625736
Ethylpropylmaleinimide
CID 85864657
N-(2,2-dimethylpropanoyl)cyclopentene-1-carboxamide
CID 86059800

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-butan-2-ylpyrrole-2,5-dione (CID 19910849) is 3-butan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-butan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-butan-2-ylpyrrole-2,5-dione is CCC(C)C1=CC(=O)NC1=O.
What is the InChIKey of 3-butan-2-ylpyrrole-2,5-dione?
The InChIKey is VZAHZSOLRQLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5(2)6-4-7(10)9-8(6)11/h4-5H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 3-butan-2-ylpyrrole-2,5-dione?
3-butan-2-ylpyrrole-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 19910849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).