5-hexylpyrrolidin-2-one

C10H19NO — CID 13293391

IUPAC5-hexylpyrrolidin-2-one
SMILESCCCCCCC1CCC(=O)N1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-9-7-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyJWGWURODOLAZTA-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds5

About 5-hexylpyrrolidin-2-one

5-hexylpyrrolidin-2-one (PubChem CID 13293391) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-hexylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hexylpyrrolidin-2-one
PubChem CID13293391
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-hexylpyrrolidin-2-one
SMILESCCCCCCC1CCC(=O)N1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-9-7-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyJWGWURODOLAZTA-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hexylpyrrolidin-2-one?
The IUPAC name of 5-hexylpyrrolidin-2-one (CID 13293391) is 5-hexylpyrrolidin-2-one.
What is the SMILES notation for 5-hexylpyrrolidin-2-one?
The canonical SMILES for 5-hexylpyrrolidin-2-one is CCCCCCC1CCC(=O)N1.
What is the InChIKey of 5-hexylpyrrolidin-2-one?
The InChIKey is JWGWURODOLAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-6-9-7-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 5-hexylpyrrolidin-2-one?
5-hexylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylpyrrolidin-2-one is sourced from PubChem (CID 13293391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).