1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one

C15H27NO3 — CID 110203435

IUPAC1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C15H27NO3/c1-12(2)3-4-14(18)16-8-6-15(7-9-16)11-13(17)5-10-19-15/h12-13,17H,3-11H2,1-2H3
InChIKeySZYNLOJYJAUQPL-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.96
Rot. Bonds3

About 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one

1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one (PubChem CID 110203435) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
PubChem CID110203435
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C15H27NO3/c1-12(2)3-4-14(18)16-8-6-15(7-9-16)11-13(17)5-10-19-15/h12-13,17H,3-11H2,1-2H3
InChIKeySZYNLOJYJAUQPL-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one (CID 110203435) is 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC2(CC1)CC(O)CCO2.
What is the InChIKey of 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one?
The InChIKey is SZYNLOJYJAUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)3-4-14(18)16-8-6-15(7-9-16)11-13(17)5-10-19-15/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one?
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one is sourced from PubChem (CID 110203435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).