7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C18H12FN3O5 — CID 3841311

IUPAC7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O5/c19-12-3-7-13(8-4-12)21-16(23)10-18(17(21)24)9-15(20-27-18)11-1-5-14(6-2-11)22(25)26/h1-8H,9-10H2
InChIKeyYWQPRQMRTVWFJR-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.56
Rot. Bonds3

About 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 3841311) has the molecular formula C18H12FN3O5 and a molecular weight of 369.31 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID3841311
Molecular FormulaC18H12FN3O5
Molecular Weight369.31 g/mol
Exact Mass369.08
IUPAC Name7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O5/c19-12-3-7-13(8-4-12)21-16(23)10-18(17(21)24)9-15(20-27-18)11-1-5-14(6-2-11)22(25)26/h1-8H,9-10H2
InChIKeyYWQPRQMRTVWFJR-UHFFFAOYSA-N
XLogP2.56
TPSA102.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5S)-7-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480104
(5R)-3-(4-nitrophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480736
(5S)-7-(4-bromophenyl)-4-(4-nitrophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
CID 1422577
5,5-dimethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 115429011
1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 66605218
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
(5S)-5-(4-fluorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 877364
7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4899988
(5R)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481590
3-(4-fluoroanilino)-1-(4-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585685
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
4-[(3S)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51428308

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 3841311) is 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is O=C1CC2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is YWQPRQMRTVWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O5/c19-12-3-7-13(8-4-12)21-16(23)10-18(17(21)24)9-15(20-27-18)11-1-5-14(6-2-11)22(25)26/h1-8H,9-10H2.
What are the key properties of 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 369.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 3841311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).