4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one

C13H22N2O2 — CID 22985232

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CC3CCC2C3)C1=O
InChIInChI=1S/C13H22N2O2/c1-14-11-8-17-5-4-15(13(11)16)12-7-9-2-3-10(12)6-9/h9-12,14H,2-8H2,1H3
InChIKeyAJLZONPXAQFRBA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds2

About 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one

4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 22985232) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID22985232
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(C2CC3CCC2C3)C1=O
InChIInChI=1S/C13H22N2O2/c1-14-11-8-17-5-4-15(13(11)16)12-7-9-2-3-10(12)6-9/h9-12,14H,2-8H2,1H3
InChIKeyAJLZONPXAQFRBA-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-bicyclo[2.2.1]hept-2-yl-2-(4-morpholinyl)acetamide
CID 2977485
4-(2-Bicyclo[3.1.0]hexanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589886
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-(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-(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]heptanylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985235
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide
CID 2233084
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide
CID 2233085

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one (CID 22985232) is 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(C2CC3CCC2C3)C1=O.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is AJLZONPXAQFRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-11-8-17-5-4-15(13(11)16)12-7-9-2-3-10(12)6-9/h9-12,14H,2-8H2,1H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 238.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 22985232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).