5-(5,5-dimethoxyhexyl)pyrrolidin-2-one

C12H23NO3 — CID 558674

IUPAC5-(5,5-dimethoxyhexyl)pyrrolidin-2-one
SMILESCOC(C)(CCCCC1CCC(=O)N1)OC
InChIInChI=1S/C12H23NO3/c1-12(15-2,16-3)9-5-4-6-10-7-8-11(14)13-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyPKZRTWAJHFKFPY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.83
Rot. Bonds7

About 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one

5-(5,5-dimethoxyhexyl)pyrrolidin-2-one (PubChem CID 558674) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5,5-dimethoxyhexyl)pyrrolidin-2-one
PubChem CID558674
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-(5,5-dimethoxyhexyl)pyrrolidin-2-one
SMILESCOC(C)(CCCCC1CCC(=O)N1)OC
InChIInChI=1S/C12H23NO3/c1-12(15-2,16-3)9-5-4-6-10-7-8-11(14)13-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyPKZRTWAJHFKFPY-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(5,5-dimethoxyhexyl)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

Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one?
The IUPAC name of 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one (CID 558674) is 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one?
The canonical SMILES for 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one is COC(C)(CCCCC1CCC(=O)N1)OC.
What is the InChIKey of 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one?
The InChIKey is PKZRTWAJHFKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(15-2,16-3)9-5-4-6-10-7-8-11(14)13-10/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one?
5-(5,5-dimethoxyhexyl)pyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethoxyhexyl)pyrrolidin-2-one is sourced from PubChem (CID 558674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).