6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one

C15H19N3O3 — CID 83245377

IUPAC6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CN1C(=O)C2(CC2)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c1-10(2)9-17-13(16-15(6-7-15)14(17)19)11-4-3-5-12(8-11)18(20)21/h3-5,8,10,13,16H,6-7,9H2,1-2H3
InChIKeyXLESYTCGGBWSHI-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.21
Rot. Bonds4

About 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245377) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245377
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CN1C(=O)C2(CC2)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O3/c1-10(2)9-17-13(16-15(6-7-15)14(17)19)11-4-3-5-12(8-11)18(20)21/h3-5,8,10,13,16H,6-7,9H2,1-2H3
InChIKeyXLESYTCGGBWSHI-UHFFFAOYSA-N
XLogP2.21
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-3-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79491776
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
6-(2-methyl-3-methylsulfanylpropyl)-5-(3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263704
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
3-(3-methoxy-2-methylpropyl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83252754
2-(3-nitrophenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983283
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine
CID 66228283
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245377) is 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CN1C(=O)C2(CC2)NC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is XLESYTCGGBWSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)9-17-13(16-15(6-7-15)14(17)19)11-4-3-5-12(8-11)18(20)21/h3-5,8,10,13,16H,6-7,9H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 289.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).