3-hydroxy-1-pentylpyrrolidin-2-one

C9H17NO2 — CID 117014185

IUPAC3-hydroxy-1-pentylpyrrolidin-2-one
SMILESCCCCCN1CCC(O)C1=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-6-10-7-5-8(11)9(10)12/h8,11H,2-7H2,1H3
InChIKeyGJKDNOUSANPXSY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds4

About 3-hydroxy-1-pentylpyrrolidin-2-one

3-hydroxy-1-pentylpyrrolidin-2-one (PubChem CID 117014185) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-hydroxy-1-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-pentylpyrrolidin-2-one
PubChem CID117014185
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-hydroxy-1-pentylpyrrolidin-2-one
SMILESCCCCCN1CCC(O)C1=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-6-10-7-5-8(11)9(10)12/h8,11H,2-7H2,1H3
InChIKeyGJKDNOUSANPXSY-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
1-butyl-3-fluoropyrrolidin-2-one
CID 45088613
2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]acetamide
CID 3069835
1-butyl-4-hydroxypiperidin-2-one
CID 117013970
4-methyl-1-octylpiperidin-2-one
CID 139271548
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
1,3-dioctylimidazolidin-2-one
CID 19987667
3-methyl-1-nonylpiperazin-2-one
CID 63608174
1-pentyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64883359
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
CID 117008383
1-(4-butyl-4-methylnonyl)-3-methylpyrrolidin-2-one
CID 167256372
1-decyl-3-hydroxy-1,3-diazinan-2-one
CID 15675482

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-pentylpyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-pentylpyrrolidin-2-one (CID 117014185) is 3-hydroxy-1-pentylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-pentylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-pentylpyrrolidin-2-one is CCCCCN1CCC(O)C1=O.
What is the InChIKey of 3-hydroxy-1-pentylpyrrolidin-2-one?
The InChIKey is GJKDNOUSANPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-6-10-7-5-8(11)9(10)12/h8,11H,2-7H2,1H3.
What are the key properties of 3-hydroxy-1-pentylpyrrolidin-2-one?
3-hydroxy-1-pentylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-pentylpyrrolidin-2-one is sourced from PubChem (CID 117014185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).