2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine

C18H14N2O2 — CID 24756097

IUPAC2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine
SMILESO=[N+]([O-])c1ccc(N2CC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14N2O2/c21-20(22)17-9-7-16(8-10-17)19-12-18(19)15-6-5-13-3-1-2-4-14(13)11-15/h1-11,18H,12H2
InChIKeyIBRXYFSHXNLBOM-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.31
Rot. Bonds3

About 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine

2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine (PubChem CID 24756097) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine
PubChem CID24756097
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine
SMILESO=[N+]([O-])c1ccc(N2CC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14N2O2/c21-20(22)17-9-7-16(8-10-17)19-12-18(19)15-6-5-13-3-1-2-4-14(13)11-15/h1-11,18H,12H2
InChIKeyIBRXYFSHXNLBOM-UHFFFAOYSA-N
XLogP4.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.31
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

1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
1-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]aziridine
CID 89119970
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
(2R,3R)-2-(4-nitrophenyl)-1-phenylazetidine-3-carbonitrile
CID 102576559
2-(4-methoxyphenyl)-1-methyl-3-(4-nitrophenyl)imidazolidine
CID 86073103
naphthalen-2-ol;nitrobenzene
CID 163774452
1-benzyl-2-(4-nitrophenyl)aziridine
CID 11368817
3-(4-bromophenyl)-2-(4-nitrophenyl)-1,2-dihydrobenzo[g]quinazolin-4-one
CID 10005101
(3,3-dimethyl-2-naphthalen-2-yl-2H-indol-1-yl)-(4-nitrophenyl)methanone
CID 101263910
3-methyl-1-(4-nitrophenyl)-2,3-dihydrobenzo[g]indole
CID 25188544
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
CID 11034304
N-(1-naphthalen-2-ylethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 46801213

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine?
The IUPAC name of 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine (CID 24756097) is 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine.
What is the SMILES notation for 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine?
The canonical SMILES for 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine is O=[N+]([O-])c1ccc(N2CC2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine?
The InChIKey is IBRXYFSHXNLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-20(22)17-9-7-16(8-10-17)19-12-18(19)15-6-5-13-3-1-2-4-14(13)11-15/h1-11,18H,12H2.
What are the key properties of 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine?
2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine has a molecular weight of 290.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-(4-nitrophenyl)aziridine is sourced from PubChem (CID 24756097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).