3-hexyl-1-methoxypyrrolidine-2,5-dione

C11H19NO3 — CID 59172774

IUPAC3-hexyl-1-methoxypyrrolidine-2,5-dione
SMILESCCCCCCC1CC(=O)N(OC)C1=O
InChIInChI=1S/C11H19NO3/c1-3-4-5-6-7-9-8-10(13)12(15-2)11(9)14/h9H,3-8H2,1-2H3
InChIKeyVRSAOLVDSYFSCG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.89
Rot. Bonds6

About 3-hexyl-1-methoxypyrrolidine-2,5-dione

3-hexyl-1-methoxypyrrolidine-2,5-dione (PubChem CID 59172774) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-hexyl-1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hexyl-1-methoxypyrrolidine-2,5-dione
PubChem CID59172774
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-hexyl-1-methoxypyrrolidine-2,5-dione
SMILESCCCCCCC1CC(=O)N(OC)C1=O
InChIInChI=1S/C11H19NO3/c1-3-4-5-6-7-9-8-10(13)12(15-2)11(9)14/h9H,3-8H2,1-2H3
InChIKeyVRSAOLVDSYFSCG-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
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-hexyl-1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-hexyl-1-methoxypyrrolidine-2,5-dione (CID 59172774) is 3-hexyl-1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-hexyl-1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-hexyl-1-methoxypyrrolidine-2,5-dione is CCCCCCC1CC(=O)N(OC)C1=O.
What is the InChIKey of 3-hexyl-1-methoxypyrrolidine-2,5-dione?
The InChIKey is VRSAOLVDSYFSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-5-6-7-9-8-10(13)12(15-2)11(9)14/h9H,3-8H2,1-2H3.
What are the key properties of 3-hexyl-1-methoxypyrrolidine-2,5-dione?
3-hexyl-1-methoxypyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 59172774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).