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

C10H18N2O2 — CID 22985012

IUPAC4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCC2)C1=O
InChIInChI=1S/C10H18N2O2/c1-11-9-7-14-6-5-12(10(9)13)8-3-2-4-8/h8-9,11H,2-7H2,1H3
InChIKeyQEYAVGKSLGPIAA-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds2

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

4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985012) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985012
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCC2)C1=O
InChIInChI=1S/C10H18N2O2/c1-11-9-7-14-6-5-12(10(9)13)8-3-2-4-8/h8-9,11H,2-7H2,1H3
InChIKeyQEYAVGKSLGPIAA-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one (CID 22985012) is 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CCC2)C1=O.
What is the InChIKey of 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is QEYAVGKSLGPIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-9-7-14-6-5-12(10(9)13)8-3-2-4-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one?
4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 198.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).