2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione

C16H19NO3 — CID 42884883

IUPAC2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CC(O)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-13(12-6-2-1-3-7-12)11-17-14(19)10-16(15(17)20)8-4-5-9-16/h1-3,6-7,13,18H,4-5,8-11H2
InChIKeyMRJUWIVNXDGWKQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 42884883) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID42884883
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CC(O)c1ccccc1
InChIInChI=1S/C16H19NO3/c18-13(12-6-2-1-3-7-12)11-17-14(19)10-16(15(17)20)8-4-5-9-16/h1-3,6-7,13,18H,4-5,8-11H2
InChIKeyMRJUWIVNXDGWKQ-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.04
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 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 42884883) is 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is MRJUWIVNXDGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-13(12-6-2-1-3-7-12)11-17-14(19)10-16(15(17)20)8-4-5-9-16/h1-3,6-7,13,18H,4-5,8-11H2.
What are the key properties of 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 42884883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).