5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C13H19NO3 — CID 43859598

IUPAC5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCN1C(=O)C2C3CC4C(OC1(CC)C42)C3O
InChIInChI=1S/C13H19NO3/c1-3-13-9-7-5-6(10(15)11(7)17-13)8(9)12(16)14(13)4-2/h6-11,15H,3-5H2,1-2H3
InChIKeyLCEIFEQHUBVTEA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.60
Rot. Bonds2

About 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859598) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859598
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCN1C(=O)C2C3CC4C(OC1(CC)C42)C3O
InChIInChI=1S/C13H19NO3/c1-3-13-9-7-5-6(10(15)11(7)17-13)8(9)12(16)14(13)4-2/h6-11,15H,3-5H2,1-2H3
InChIKeyLCEIFEQHUBVTEA-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859598) is 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CCN1C(=O)C2C3CC4C(OC1(CC)C42)C3O.
What is the InChIKey of 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is LCEIFEQHUBVTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-13-9-7-5-6(10(15)11(7)17-13)8(9)12(16)14(13)4-2/h6-11,15H,3-5H2,1-2H3.
What are the key properties of 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).