1-hexan-2-ylpyrrolidine-2,3-dione

C10H17NO2 — CID 62200791

IUPAC1-hexan-2-ylpyrrolidine-2,3-dione
SMILESCCCCC(C)N1CCC(=O)C1=O
InChIInChI=1S/C10H17NO2/c1-3-4-5-8(2)11-7-6-9(12)10(11)13/h8H,3-7H2,1-2H3
InChIKeyKJSGLOZVASKRKA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds4

About 1-hexan-2-ylpyrrolidine-2,3-dione

1-hexan-2-ylpyrrolidine-2,3-dione (PubChem CID 62200791) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-hexan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-hexan-2-ylpyrrolidine-2,3-dione
PubChem CID62200791
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-hexan-2-ylpyrrolidine-2,3-dione
SMILESCCCCC(C)N1CCC(=O)C1=O
InChIInChI=1S/C10H17NO2/c1-3-4-5-8(2)11-7-6-9(12)10(11)13/h8H,3-7H2,1-2H3
InChIKeyKJSGLOZVASKRKA-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-hexan-2-ylpyrrolidine-2,3-dione (CID 62200791) is 1-hexan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-hexan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-hexan-2-ylpyrrolidine-2,3-dione is CCCCC(C)N1CCC(=O)C1=O.
What is the InChIKey of 1-hexan-2-ylpyrrolidine-2,3-dione?
The InChIKey is KJSGLOZVASKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-8(2)11-7-6-9(12)10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-hexan-2-ylpyrrolidine-2,3-dione?
1-hexan-2-ylpyrrolidine-2,3-dione has a molecular weight of 183.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 62200791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).