oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

C13H22N2O2 — CID 134160453

IUPACoxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CC(N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(11-3-7-17-8-4-11)15-9-12(10-15)14-5-1-2-6-14/h11-12H,1-10H2
InChIKeyNQYRMBVMHYLGCF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.72
Rot. Bonds2

About oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone

oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (PubChem CID 134160453) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
PubChem CID134160453
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameoxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CC(N2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c16-13(11-3-7-17-8-4-11)15-9-12(10-15)14-5-1-2-6-14/h11-12H,1-10H2
InChIKeyNQYRMBVMHYLGCF-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone 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 oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The IUPAC name of oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone (CID 134160453) is oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is O=C(C1CCOCC1)N1CC(N2CCCC2)C1.
What is the InChIKey of oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
The InChIKey is NQYRMBVMHYLGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(11-3-7-17-8-4-11)15-9-12(10-15)14-5-1-2-6-14/h11-12H,1-10H2.
What are the key properties of oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone?
oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(3-pyrrolidin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 134160453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).