5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one

C14H17N3O3 — CID 83249591

IUPAC5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one
SMILESCC1NC(c2cccc([N+](=O)[O-])c2)N(C2CC2C)C1=O
InChIInChI=1S/C14H17N3O3/c1-8-6-12(8)16-13(15-9(2)14(16)18)10-4-3-5-11(7-10)17(19)20/h3-5,7-9,12-13,15H,6H2,1-2H3
InChIKeyNXNFHJMTOQDWSX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.82
Rot. Bonds3

About 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one

5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one (PubChem CID 83249591) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one
PubChem CID83249591
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one
SMILESCC1NC(c2cccc([N+](=O)[O-])c2)N(C2CC2C)C1=O
InChIInChI=1S/C14H17N3O3/c1-8-6-12(8)16-13(15-9(2)14(16)18)10-4-3-5-11(7-10)17(19)20/h3-5,7-9,12-13,15H,6H2,1-2H3
InChIKeyNXNFHJMTOQDWSX-UHFFFAOYSA-N
XLogP1.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one (CID 83249591) is 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one is CC1NC(c2cccc([N+](=O)[O-])c2)N(C2CC2C)C1=O.
What is the InChIKey of 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
The InChIKey is NXNFHJMTOQDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-6-12(8)16-13(15-9(2)14(16)18)10-4-3-5-11(7-10)17(19)20/h3-5,7-9,12-13,15H,6H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one?
5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one has a molecular weight of 275.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylcyclopropyl)-2-(3-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83249591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).