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

C8H14N2O2 — CID 70505523

IUPAC3-(4-aminobutyl)pyrrolidine-2,5-dione
SMILESNCCCCC1CC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c9-4-2-1-3-6-5-7(11)10-8(6)12/h6H,1-5,9H2,(H,10,11,12)
InChIKeyPIJDCQHILNBLAJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.22
Rot. Bonds4

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

3-(4-aminobutyl)pyrrolidine-2,5-dione (PubChem CID 70505523) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(4-aminobutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-aminobutyl)pyrrolidine-2,5-dione
PubChem CID70505523
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(4-aminobutyl)pyrrolidine-2,5-dione
SMILESNCCCCC1CC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c9-4-2-1-3-6-5-7(11)10-8(6)12/h6H,1-5,9H2,(H,10,11,12)
InChIKeyPIJDCQHILNBLAJ-UHFFFAOYSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-aminobutyl)pyrrolidine-2,5-dione (CID 70505523) is 3-(4-aminobutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-aminobutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-aminobutyl)pyrrolidine-2,5-dione is NCCCCC1CC(=O)NC1=O.
What is the InChIKey of 3-(4-aminobutyl)pyrrolidine-2,5-dione?
The InChIKey is PIJDCQHILNBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-4-2-1-3-6-5-7(11)10-8(6)12/h6H,1-5,9H2,(H,10,11,12).
What are the key properties of 3-(4-aminobutyl)pyrrolidine-2,5-dione?
3-(4-aminobutyl)pyrrolidine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70505523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).