3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione

C17H20N2O3 — CID 2710901

IUPAC3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-14(13-8-4-3-5-9-13)12-19-15(21)17(18-16(19)22)10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,22)
InChIKeyQZVMUCWFDPWEFA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.51
Rot. Bonds3

About 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione

3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2710901) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2710901
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-14(13-8-4-3-5-9-13)12-19-15(21)17(18-16(19)22)10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,22)
InChIKeyQZVMUCWFDPWEFA-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2710901) is 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is QZVMUCWFDPWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-14(13-8-4-3-5-9-13)12-19-15(21)17(18-16(19)22)10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,22).
What are the key properties of 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2710901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).