5-octylpyrrolidin-2-one

C12H23NO — CID 20527048

IUPAC5-octylpyrrolidin-2-one
SMILESCCCCCCCCC1CCC(=O)N1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyVOZOQFMLPDTDEP-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.02
Rot. Bonds7

About 5-octylpyrrolidin-2-one

5-octylpyrrolidin-2-one (PubChem CID 20527048) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-octylpyrrolidin-2-one.

Molecular Properties

Compound Name5-octylpyrrolidin-2-one
PubChem CID20527048
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-octylpyrrolidin-2-one
SMILESCCCCCCCCC1CCC(=O)N1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyVOZOQFMLPDTDEP-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.02
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-octylpyrrolidin-2-one?
The IUPAC name of 5-octylpyrrolidin-2-one (CID 20527048) is 5-octylpyrrolidin-2-one.
What is the SMILES notation for 5-octylpyrrolidin-2-one?
The canonical SMILES for 5-octylpyrrolidin-2-one is CCCCCCCCC1CCC(=O)N1.
What is the InChIKey of 5-octylpyrrolidin-2-one?
The InChIKey is VOZOQFMLPDTDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of 5-octylpyrrolidin-2-one?
5-octylpyrrolidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octylpyrrolidin-2-one is sourced from PubChem (CID 20527048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).