1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione

C12H22N2O2 — CID 57176341

IUPAC1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CCCCCN)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-12(2)9-10(15)14(11(12)16)8-6-4-5-7-13/h3-9,13H2,1-2H3
InChIKeyKVCNPJKMXSNSIR-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds6

About 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione

1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 57176341) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID57176341
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CCCCCN)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-12(2)9-10(15)14(11(12)16)8-6-4-5-7-13/h3-9,13H2,1-2H3
InChIKeyKVCNPJKMXSNSIR-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
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-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 57176341) is 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(CCCCCN)C1=O.
What is the InChIKey of 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is KVCNPJKMXSNSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-12(2)9-10(15)14(11(12)16)8-6-4-5-7-13/h3-9,13H2,1-2H3.
What are the key properties of 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione?
1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 57176341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).