8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione

C15H15N3O4 — CID 11841610

IUPAC8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
SMILESCC1=CCC2(C(=O)NNC2=O)C(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H15N3O4/c1-9-6-7-15(13(19)16-17-14(15)20)12(8-9)10-2-4-11(5-3-10)18(21)22/h2-6,12H,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyWRQAINOKCFFBDD-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.57
Rot. Bonds2

About 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione

8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione (PubChem CID 11841610) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione.

Molecular Properties

Compound Name8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
PubChem CID11841610
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
SMILESCC1=CCC2(C(=O)NNC2=O)C(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H15N3O4/c1-9-6-7-15(13(19)16-17-14(15)20)12(8-9)10-2-4-11(5-3-10)18(21)22/h2-6,12H,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyWRQAINOKCFFBDD-UHFFFAOYSA-N
XLogP1.57
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
The IUPAC name of 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione (CID 11841610) is 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione.
What is the SMILES notation for 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
The canonical SMILES for 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione is CC1=CCC2(C(=O)NNC2=O)C(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
The InChIKey is WRQAINOKCFFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-6-7-15(13(19)16-17-14(15)20)12(8-9)10-2-4-11(5-3-10)18(21)22/h2-6,12H,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione has a molecular weight of 301.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione is sourced from PubChem (CID 11841610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).