5-pentylpyrrolidin-2-one

C9H17NO — CID 558390

IUPAC5-pentylpyrrolidin-2-one
SMILESCCCCCC1CCC(=O)N1
InChIInChI=1S/C9H17NO/c1-2-3-4-5-8-6-7-9(11)10-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyAVXDRTPWSSONSG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.85
Rot. Bonds4

About 5-pentylpyrrolidin-2-one

5-pentylpyrrolidin-2-one (PubChem CID 558390) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name5-pentylpyrrolidin-2-one
PubChem CID558390
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-pentylpyrrolidin-2-one
SMILESCCCCCC1CCC(=O)N1
InChIInChI=1S/C9H17NO/c1-2-3-4-5-8-6-7-9(11)10-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyAVXDRTPWSSONSG-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.85
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-pentylpyrrolidin-2-one?
The IUPAC name of 5-pentylpyrrolidin-2-one (CID 558390) is 5-pentylpyrrolidin-2-one.
What is the SMILES notation for 5-pentylpyrrolidin-2-one?
The canonical SMILES for 5-pentylpyrrolidin-2-one is CCCCCC1CCC(=O)N1.
What is the InChIKey of 5-pentylpyrrolidin-2-one?
The InChIKey is AVXDRTPWSSONSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-8-6-7-9(11)10-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of 5-pentylpyrrolidin-2-one?
5-pentylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylpyrrolidin-2-one is sourced from PubChem (CID 558390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).