3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one

C12H19NO2 — CID 79644213

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C12H19NO2/c14-10-5-4-9(8-10)13-6-7-15-12-3-1-2-11(12)13/h9,11-12H,1-8H2
InChIKeyDGYSIXLEVOCGCT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.36
Rot. Bonds1

About 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one (PubChem CID 79644213) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
PubChem CID79644213
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C12H19NO2/c14-10-5-4-9(8-10)13-6-7-15-12-3-1-2-11(12)13/h9,11-12H,1-8H2
InChIKeyDGYSIXLEVOCGCT-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one (CID 79644213) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one is O=C1CCC(N2CCOC3CCCC32)C1.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one?
The InChIKey is DGYSIXLEVOCGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-5-4-9(8-10)13-6-7-15-12-3-1-2-11(12)13/h9,11-12H,1-8H2.
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one is sourced from PubChem (CID 79644213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).