5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one

C14H17N3O4 — CID 83267221

IUPAC5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
SMILESCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CCOC2)C1=O
InChIInChI=1S/C14H17N3O4/c1-9-14(18)16(12-6-7-21-8-12)13(15-9)10-2-4-11(5-3-10)17(19)20/h2-5,9,12-13,15H,6-8H2,1H3
InChIKeyFTZGZONGFJNSTH-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.20
Rot. Bonds3

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

5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one (PubChem CID 83267221) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
PubChem CID83267221
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
SMILESCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CCOC2)C1=O
InChIInChI=1S/C14H17N3O4/c1-9-14(18)16(12-6-7-21-8-12)13(15-9)10-2-4-11(5-3-10)17(19)20/h2-5,9,12-13,15H,6-8H2,1H3
InChIKeyFTZGZONGFJNSTH-UHFFFAOYSA-N
XLogP1.20
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one (CID 83267221) is 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one is CC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CCOC2)C1=O.
What is the InChIKey of 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one?
The InChIKey is FTZGZONGFJNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-14(18)16(12-6-7-21-8-12)13(15-9)10-2-4-11(5-3-10)17(19)20/h2-5,9,12-13,15H,6-8H2,1H3.
What are the key properties of 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one?
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one has a molecular weight of 291.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83267221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).