3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione

C16H27NO3 — CID 106291114

IUPAC3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC(C)(O)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H27NO3/c1-3-7-15(2,20)12-17-13(18)10-16(11-14(17)19)8-5-4-6-9-16/h20H,3-12H2,1-2H3
InChIKeyPKKUBIJNASRRSH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.64
Rot. Bonds4

About 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione

3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 106291114) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID106291114
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC(C)(O)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H27NO3/c1-3-7-15(2,20)12-17-13(18)10-16(11-14(17)19)8-5-4-6-9-16/h20H,3-12H2,1-2H3
InChIKeyPKKUBIJNASRRSH-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 106291114) is 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione is CCCC(C)(O)CN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is PKKUBIJNASRRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-7-15(2,20)12-17-13(18)10-16(11-14(17)19)8-5-4-6-9-16/h20H,3-12H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 106291114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).