3-(4-butylanilino)pyrrolidine-2,5-dione

C14H18N2O2 — CID 43637893

IUPAC3-(4-butylanilino)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-10-5-7-11(8-6-10)15-12-9-13(17)16-14(12)18/h5-8,12,15H,2-4,9H2,1H3,(H,16,17,18)
InChIKeyKHXSOIXLKFYPBQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds5

About 3-(4-butylanilino)pyrrolidine-2,5-dione

3-(4-butylanilino)pyrrolidine-2,5-dione (PubChem CID 43637893) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-butylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-butylanilino)pyrrolidine-2,5-dione
PubChem CID43637893
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(4-butylanilino)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-10-5-7-11(8-6-10)15-12-9-13(17)16-14(12)18/h5-8,12,15H,2-4,9H2,1H3,(H,16,17,18)
InChIKeyKHXSOIXLKFYPBQ-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
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 3-(4-butylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-butylanilino)pyrrolidine-2,5-dione (CID 43637893) is 3-(4-butylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-butylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-butylanilino)pyrrolidine-2,5-dione is CCCCc1ccc(NC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-butylanilino)pyrrolidine-2,5-dione?
The InChIKey is KHXSOIXLKFYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-4-10-5-7-11(8-6-10)15-12-9-13(17)16-14(12)18/h5-8,12,15H,2-4,9H2,1H3,(H,16,17,18).
What are the key properties of 3-(4-butylanilino)pyrrolidine-2,5-dione?
3-(4-butylanilino)pyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).