4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one

C12H20N2O2 — CID 22984997

IUPAC4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCC3CC32)C1=O
InChIInChI=1S/C12H20N2O2/c1-13-10-7-16-5-4-14(12(10)15)11-3-2-8-6-9(8)11/h8-11,13H,2-7H2,1H3
InChIKeyZBDIQFCEIUXQEA-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.23
Rot. Bonds2

About 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one

4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22984997) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22984997
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CCC3CC32)C1=O
InChIInChI=1S/C12H20N2O2/c1-13-10-7-16-5-4-14(12(10)15)11-3-2-8-6-9(8)11/h8-11,13H,2-7H2,1H3
InChIKeyZBDIQFCEIUXQEA-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Bicyclo[3.1.0]hexanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589886
4-[(1-Ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20609805
4-(3-Bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984990
4-(3-Bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984993
4-(6-Bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985000
4-Cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985028
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985031
4-(Cyclopentylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985037
4-(1-Bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985229
4-(2-Bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985232
4-(3-Bicyclo[4.1.0]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985238
4-(2-Bicyclo[4.1.0]heptanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 58765124

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22984997) is 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CCC3CC32)C1=O.
What is the InChIKey of 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is ZBDIQFCEIUXQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-10-7-16-5-4-14(12(10)15)11-3-2-8-6-9(8)11/h8-11,13H,2-7H2,1H3.
What are the key properties of 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 224.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).