5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one

C13H17N3O3 — CID 115282118

IUPAC5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-3-7-15-12(14-9(2)13(15)17)10-5-4-6-11(8-10)16(18)19/h4-6,8-9,12,14H,3,7H2,1-2H3
InChIKeyFVQPATOPYLNXKA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.82
Rot. Bonds4

About 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one

5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one (PubChem CID 115282118) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
PubChem CID115282118
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)C(C)NC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-3-7-15-12(14-9(2)13(15)17)10-5-4-6-11(8-10)16(18)19/h4-6,8-9,12,14H,3,7H2,1-2H3
InChIKeyFVQPATOPYLNXKA-UHFFFAOYSA-N
XLogP1.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.82
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

3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
CID 83237260
5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83249591
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
4-(3-nitrophenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855187
2-(3-nitrophenyl)-1-pentylimidazolidin-4-one
CID 84599243
3-(4-methylphenyl)-4-(3-nitrophenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856270
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83237246
5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282378

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one?
The IUPAC name of 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one (CID 115282118) is 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one is CCCN1C(=O)C(C)NC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one?
The InChIKey is FVQPATOPYLNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-7-15-12(14-9(2)13(15)17)10-5-4-6-11(8-10)16(18)19/h4-6,8-9,12,14H,3,7H2,1-2H3.
What are the key properties of 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one?
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one is sourced from PubChem (CID 115282118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).