1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione

C9H16N2O2 — CID 61236993

IUPAC1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCN)C1=O
InChIInChI=1S/C9H16N2O2/c1-7-6-8(12)11(9(7)13)5-3-2-4-10/h7H,2-6,10H2,1H3
InChIKeyUCYYSRDHSLBABR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.12
Rot. Bonds4

About 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione

1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61236993) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
PubChem CID61236993
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCN)C1=O
InChIInChI=1S/C9H16N2O2/c1-7-6-8(12)11(9(7)13)5-3-2-4-10/h7H,2-6,10H2,1H3
InChIKeyUCYYSRDHSLBABR-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
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 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione (CID 61236993) is 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCCCN)C1=O.
What is the InChIKey of 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is UCYYSRDHSLBABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-6-8(12)11(9(7)13)5-3-2-4-10/h7H,2-6,10H2,1H3.
What are the key properties of 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione?
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61236993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).