3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one

C13H17N3O3 — CID 83260322

IUPAC3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccc([N+](=O)[O-])c2)N(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-8(2)11-13(17)15(3)12(14-11)9-5-4-6-10(7-9)16(18)19/h4-8,11-12,14H,1-3H3
InChIKeyNRNLPXDBKNJJRJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.68
Rot. Bonds3

About 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one

3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83260322) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83260322
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccc([N+](=O)[O-])c2)N(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-8(2)11-13(17)15(3)12(14-11)9-5-4-6-10(7-9)16(18)19/h4-8,11-12,14H,1-3H3
InChIKeyNRNLPXDBKNJJRJ-UHFFFAOYSA-N
XLogP1.68
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.68
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-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 83260491
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83249591
3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
CID 83237260
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245377
2-(3-nitrophenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983283
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83259972
2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
CID 84599243
5-(3-nitrophenyl)-1-phenyl-1,2,4-triazolidin-3-one
CID 167840549
1,5-dimethyl-3-(3-nitrophenyl)imidazolidine-2,4-dione
CID 62637979

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one (CID 83260322) is 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(c2cccc([N+](=O)[O-])c2)N(C)C1=O.
What is the InChIKey of 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is NRNLPXDBKNJJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(2)11-13(17)15(3)12(14-11)9-5-4-6-10(7-9)16(18)19/h4-8,11-12,14H,1-3H3.
What are the key properties of 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one?
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83260322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).