9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C15H23NO3 — CID 43859617

IUPAC9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)N1C(=O)C2C3CC4C(OC1(C(C)C)C42)C3O
InChIInChI=1S/C15H23NO3/c1-6(2)15-11-9-5-8(12(17)13(9)19-15)10(11)14(18)16(15)7(3)4/h6-13,17H,5H2,1-4H3
InChIKeyJXGPMQFHONEGTF-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.23
Rot. Bonds2

About 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859617) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859617
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)N1C(=O)C2C3CC4C(OC1(C(C)C)C42)C3O
InChIInChI=1S/C15H23NO3/c1-6(2)15-11-9-5-8(12(17)13(9)19-15)10(11)14(18)16(15)7(3)4/h6-13,17H,5H2,1-4H3
InChIKeyJXGPMQFHONEGTF-UHFFFAOYSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859617) is 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CC(C)N1C(=O)C2C3CC4C(OC1(C(C)C)C42)C3O.
What is the InChIKey of 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is JXGPMQFHONEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6(2)15-11-9-5-8(12(17)13(9)19-15)10(11)14(18)16(15)7(3)4/h6-13,17H,5H2,1-4H3.
What are the key properties of 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 265.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).