3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C19H20FNO3 — CID 135365270

IUPAC3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCC(C)N1C(=O)C(Cc2ccc(F)cc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C19H20FNO3/c1-13(2)21-18(23)15(11-14-3-5-16(20)6-4-14)12-24-19(21)9-7-17(22)8-10-19/h3-10,13,15H,11-12H2,1-2H3
InChIKeyWBPNCTSVGPLUFN-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.64
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 135365270) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID135365270
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCC(C)N1C(=O)C(Cc2ccc(F)cc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C19H20FNO3/c1-13(2)21-18(23)15(11-14-3-5-16(20)6-4-14)12-24-19(21)9-7-17(22)8-10-19/h3-10,13,15H,11-12H2,1-2H3
InChIKeyWBPNCTSVGPLUFN-UHFFFAOYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 135365270) is 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is CC(C)N1C(=O)C(Cc2ccc(F)cc2)COC12C=CC(=O)C=C2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is WBPNCTSVGPLUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(2)21-18(23)15(11-14-3-5-16(20)6-4-14)12-24-19(21)9-7-17(22)8-10-19/h3-10,13,15H,11-12H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 329.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 135365270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).