4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one

C11H20N2O2 — CID 22985034

IUPAC4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCCC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-8-15-7-6-13(11(10)14)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3
InChIKeyXSRZKXWOHXHZFL-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds2

About 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one

4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985034) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985034
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCCC2)C1=O
InChIInChI=1S/C11H20N2O2/c1-12-10-8-15-7-6-13(11(10)14)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3
InChIKeyXSRZKXWOHXHZFL-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-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 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one (CID 22985034) is 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CCCC2)C1=O.
What is the InChIKey of 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is XSRZKXWOHXHZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-10-8-15-7-6-13(11(10)14)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one?
4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).