4-hydroxy-3-pentylpyrrolidin-2-one

C9H17NO2 — CID 67824798

IUPAC4-hydroxy-3-pentylpyrrolidin-2-one
SMILESCCCCCC1C(=O)NCC1O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-7-8(11)6-10-9(7)12/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyJGGJEVSKIJPBFG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds4

About 4-hydroxy-3-pentylpyrrolidin-2-one

4-hydroxy-3-pentylpyrrolidin-2-one (PubChem CID 67824798) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxy-3-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-pentylpyrrolidin-2-one
PubChem CID67824798
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-hydroxy-3-pentylpyrrolidin-2-one
SMILESCCCCCC1C(=O)NCC1O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-7-8(11)6-10-9(7)12/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyJGGJEVSKIJPBFG-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-4-cyclohexylpyrrolidin-2-one
CID 174456342
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
4-hexyl-5-methylcyclopentane-1,3-dione
CID 54288765
3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857
(3S,4R,5R)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
CID 11077856
4-nonylpyrrolidin-2-one
CID 143116205
4-hydroxy-5-octylcyclopentane-1,2,3-trione
CID 90985729
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987
4-hexylpyrrolidin-2-one
CID 18921442
(4S)-4-hexylpyrazolidin-3-one
CID 134877002
(6R)-2-hydroxy-6-octyl-2H-pyran-5-one
CID 165416639
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
CID 14641217

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pentylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-3-pentylpyrrolidin-2-one (CID 67824798) is 4-hydroxy-3-pentylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-pentylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-3-pentylpyrrolidin-2-one is CCCCCC1C(=O)NCC1O.
What is the InChIKey of 4-hydroxy-3-pentylpyrrolidin-2-one?
The InChIKey is JGGJEVSKIJPBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-7-8(11)6-10-9(7)12/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of 4-hydroxy-3-pentylpyrrolidin-2-one?
4-hydroxy-3-pentylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pentylpyrrolidin-2-one is sourced from PubChem (CID 67824798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).