methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane

C15H15N2O3P — CID 143902314

IUPACmethyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane
SMILESCP(Oc1ccc([N+](=O)[O-])cc1)N1CC1c1ccccc1
InChIInChI=1S/C15H15N2O3P/c1-21(16-11-15(16)12-5-3-2-4-6-12)20-14-9-7-13(8-10-14)17(18)19/h2-10,15H,11H2,1H3
InChIKeySTNILJVKRFVPKY-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.97
Rot. Bonds5

About methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane

methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane (PubChem CID 143902314) has the molecular formula C15H15N2O3P and a molecular weight of 302.27 g/mol. Its IUPAC name is methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane.

Molecular Properties

Compound Namemethyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane
PubChem CID143902314
Molecular FormulaC15H15N2O3P
Molecular Weight302.27 g/mol
Exact Mass302.08
IUPAC Namemethyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane
SMILESCP(Oc1ccc([N+](=O)[O-])cc1)N1CC1c1ccccc1
InChIInChI=1S/C15H15N2O3P/c1-21(16-11-15(16)12-5-3-2-4-6-12)20-14-9-7-13(8-10-14)17(18)19/h2-10,15H,11H2,1H3
InChIKeySTNILJVKRFVPKY-UHFFFAOYSA-N
XLogP3.97
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phosphor', '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
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
1-benzyl-2-(4-nitrophenyl)aziridine
CID 11368817
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
calcium nitrobenzene
CID 67916702
2-(4-nitrophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293733
N-methyl-4-nitro-N-phenylaniline
CID 11287619
[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-(4-nitrophenyl)methanone
CID 4073138
N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(4-nitrophenoxy)acetamide
CID 97249380
2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal
CID 144629151
4-(4-nitrophenoxy)-N,N-diphenylaniline
CID 132556433
(2S,4S)-2-(4-nitrophenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477658

Frequently Asked Questions

What is the IUPAC name of methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane?
The IUPAC name of methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane (CID 143902314) is methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane.
What is the SMILES notation for methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane?
The canonical SMILES for methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane is CP(Oc1ccc([N+](=O)[O-])cc1)N1CC1c1ccccc1.
What is the InChIKey of methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane?
The InChIKey is STNILJVKRFVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O3P/c1-21(16-11-15(16)12-5-3-2-4-6-12)20-14-9-7-13(8-10-14)17(18)19/h2-10,15H,11H2,1H3.
What are the key properties of methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane?
methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane has a molecular weight of 302.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-nitrophenoxy)-(2-phenylaziridin-1-yl)phosphane is sourced from PubChem (CID 143902314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).