4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one

C14H24N2O2 — CID 22984990

IUPAC4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C14H24N2O2/c1-15-13-9-18-5-4-16(14(13)17)12-7-10-2-3-11(6-10)8-12/h10-13,15H,2-9H2,1H3
InChIKeyHLYCBLIXPQJEHS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds2

About 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one

4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22984990) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22984990
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CC3CCC(C3)C2)C1=O
InChIInChI=1S/C14H24N2O2/c1-15-13-9-18-5-4-16(14(13)17)12-7-10-2-3-11(6-10)8-12/h10-13,15H,2-9H2,1H3
InChIKeyHLYCBLIXPQJEHS-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one with MolForge

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Related Compounds

4-(2-Bicyclo[3.1.0]hexanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589886
4-(3-Bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984993
4-(2-Bicyclo[3.1.0]hexanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984997
4-(6-Bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985000
4-(6-Bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985003
4-(Cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985024
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-(2-Bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985235
4-(3-Bicyclo[4.1.0]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985238

Frequently Asked Questions

What is the IUPAC name of 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22984990) is 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CC3CCC(C3)C2)C1=O.
What is the InChIKey of 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is HLYCBLIXPQJEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-13-9-18-5-4-16(14(13)17)12-7-10-2-3-11(6-10)8-12/h10-13,15H,2-9H2,1H3.
What are the key properties of 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 252.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22984990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).