9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione

C20H22FNO2 — CID 23741802

IUPAC9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
SMILESC=CC1C(=C(C)C)C(C)CC12CC(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H22FNO2/c1-5-16-18(12(2)3)13(4)10-20(16)11-17(23)22(19(20)24)15-8-6-14(21)7-9-15/h5-9,13,16H,1,10-11H2,2-4H3
InChIKeyKHJFBDYFBUMTEU-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.25
Rot. Bonds2

About 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione

9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 23741802) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID23741802
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
SMILESC=CC1C(=C(C)C)C(C)CC12CC(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C20H22FNO2/c1-5-16-18(12(2)3)13(4)10-20(16)11-17(23)22(19(20)24)15-8-6-14(21)7-9-15/h5-9,13,16H,1,10-11H2,2-4H3
InChIKeyKHJFBDYFBUMTEU-UHFFFAOYSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione (CID 23741802) is 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione is C=CC1C(=C(C)C)C(C)CC12CC(=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is KHJFBDYFBUMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-5-16-18(12(2)3)13(4)10-20(16)11-17(23)22(19(20)24)15-8-6-14(21)7-9-15/h5-9,13,16H,1,10-11H2,2-4H3.
What are the key properties of 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione?
9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 327.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-2-(4-fluorophenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 23741802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).