1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one

C13H23NO3 — CID 10977596

IUPAC1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCOC1CCCCO1
InChIInChI=1S/C13H23NO3/c15-12-6-5-9-14(12)8-2-4-11-17-13-7-1-3-10-16-13/h13H,1-11H2
InChIKeyJFNTYCNONUMXGG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one

1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one (PubChem CID 10977596) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
PubChem CID10977596
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCOC1CCCCO1
InChIInChI=1S/C13H23NO3/c15-12-6-5-9-14(12)8-2-4-11-17-13-7-1-3-10-16-13/h13H,1-11H2
InChIKeyJFNTYCNONUMXGG-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione
CID 100761405
1-[4-[(2-oxopyrrolidin-1-yl)methoxy]butyl]azepan-2-one
CID 67979069
2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
2-[7-(oxan-2-yloxy)heptoxymethyl]oxan-3-one
CID 15097255
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one (CID 10977596) is 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one is O=C1CCCN1CCCCOC1CCCCO1.
What is the InChIKey of 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one?
The InChIKey is JFNTYCNONUMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12-6-5-9-14(12)8-2-4-11-17-13-7-1-3-10-16-13/h13H,1-11H2.
What are the key properties of 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one?
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one is sourced from PubChem (CID 10977596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).