(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C19H15N3O6 — CID 7631276

IUPAC(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(N2C(=O)C[C@@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1
InChIInChI=1S/C19H15N3O6/c1-27-15-7-5-13(6-8-15)21-17(23)11-19(18(21)24)10-16(20-28-19)12-3-2-4-14(9-12)22(25)26/h2-9H,10-11H2,1H3/t19-/m0/s1
InChIKeyIJTNYAZFOGJTFZ-IBGZPJMESA-N
MW381.34 g/mol
LogP2.43
Rot. Bonds4

About (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 7631276) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID7631276
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(N2C(=O)C[C@@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1
InChIInChI=1S/C19H15N3O6/c1-27-15-7-5-13(6-8-15)21-17(23)11-19(18(21)24)10-16(20-28-19)12-3-2-4-14(9-12)22(25)26/h2-9H,10-11H2,1H3/t19-/m0/s1
InChIKeyIJTNYAZFOGJTFZ-IBGZPJMESA-N
XLogP2.43
TPSA111.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-7-(3,4-dimethylphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7633164
(5R)-3-(4-nitrophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480736
(5S)-7-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480104
7-(4-fluorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 3841311
(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7662146
(5R)-5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658887
4-(4-methoxyphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 1157490
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
(5R)-5-ethenyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-ol
CID 122208756
7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4899988
tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate
CID 53473535
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 7631276) is (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(N2C(=O)C[C@@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1.
What is the InChIKey of (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is IJTNYAZFOGJTFZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15N3O6/c1-27-15-7-5-13(6-8-15)21-17(23)11-19(18(21)24)10-16(20-28-19)12-3-2-4-14(9-12)22(25)26/h2-9H,10-11H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 381.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 7631276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).