1-benzyl-2-(4-nitrophenyl)aziridine

C15H14N2O2 — CID 11368817

IUPAC1-benzyl-2-(4-nitrophenyl)aziridine
SMILESO=[N+]([O-])c1ccc(C2CN2Cc2ccccc2)cc1
InChIInChI=1S/C15H14N2O2/c18-17(19)14-8-6-13(7-9-14)15-11-16(15)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyARNQOHCAFLTFDN-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.15
Rot. Bonds4

About 1-benzyl-2-(4-nitrophenyl)aziridine

1-benzyl-2-(4-nitrophenyl)aziridine (PubChem CID 11368817) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-benzyl-2-(4-nitrophenyl)aziridine.

Molecular Properties

Compound Name1-benzyl-2-(4-nitrophenyl)aziridine
PubChem CID11368817
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-benzyl-2-(4-nitrophenyl)aziridine
SMILESO=[N+]([O-])c1ccc(C2CN2Cc2ccccc2)cc1
InChIInChI=1S/C15H14N2O2/c18-17(19)14-8-6-13(7-9-14)15-11-16(15)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyARNQOHCAFLTFDN-UHFFFAOYSA-N
XLogP3.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibenzyl-2-(4-nitrophenyl)imidazolidine
CID 1039680
1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
CID 101217629
(3S,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 51387259
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
(2S)-1-[(4-nitrophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440403
9-benzyl-3,6-dinitrocarbazole
CID 5059102
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
2-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 4219465
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-nitrophenyl)aziridine?
The IUPAC name of 1-benzyl-2-(4-nitrophenyl)aziridine (CID 11368817) is 1-benzyl-2-(4-nitrophenyl)aziridine.
What is the SMILES notation for 1-benzyl-2-(4-nitrophenyl)aziridine?
The canonical SMILES for 1-benzyl-2-(4-nitrophenyl)aziridine is O=[N+]([O-])c1ccc(C2CN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-nitrophenyl)aziridine?
The InChIKey is ARNQOHCAFLTFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-17(19)14-8-6-13(7-9-14)15-11-16(15)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 1-benzyl-2-(4-nitrophenyl)aziridine?
1-benzyl-2-(4-nitrophenyl)aziridine has a molecular weight of 254.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-nitrophenyl)aziridine is sourced from PubChem (CID 11368817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).