3-butylidenepyrrolidine-2,5-dione

C8H11NO2 — CID 57055835

IUPAC3-butylidenepyrrolidine-2,5-dione
SMILESCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-4-6-5-7(10)9-8(6)11/h4H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyHYLLAXBEYCCGCB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.76
Rot. Bonds2

About 3-butylidenepyrrolidine-2,5-dione

3-butylidenepyrrolidine-2,5-dione (PubChem CID 57055835) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-butylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-butylidenepyrrolidine-2,5-dione
PubChem CID57055835
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-butylidenepyrrolidine-2,5-dione
SMILESCCCC=C1CC(=O)NC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-4-6-5-7(10)9-8(6)11/h4H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyHYLLAXBEYCCGCB-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butylidenepyrrolidine-2,5-dione?
The IUPAC name of 3-butylidenepyrrolidine-2,5-dione (CID 57055835) is 3-butylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 3-butylidenepyrrolidine-2,5-dione?
The canonical SMILES for 3-butylidenepyrrolidine-2,5-dione is CCCC=C1CC(=O)NC1=O.
What is the InChIKey of 3-butylidenepyrrolidine-2,5-dione?
The InChIKey is HYLLAXBEYCCGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-4-6-5-7(10)9-8(6)11/h4H,2-3,5H2,1H3,(H,9,10,11).
What are the key properties of 3-butylidenepyrrolidine-2,5-dione?
3-butylidenepyrrolidine-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 57055835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).