[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol

C9H10N2O3 — CID 142235254

IUPAC[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc([C@]2(CO)CN2)cc1
InChIInChI=1S/C9H10N2O3/c12-6-9(5-10-9)7-1-3-8(4-2-7)11(13)14/h1-4,10,12H,5-6H2/t9-/m1/s1
InChIKeyHORXYUYSSPXEPC-SECBINFHSA-N
MW194.19 g/mol
LogP0.39
Rot. Bonds3

About [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol

[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol (PubChem CID 142235254) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
PubChem CID142235254
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc([C@]2(CO)CN2)cc1
InChIInChI=1S/C9H10N2O3/c12-6-9(5-10-9)7-1-3-8(4-2-7)11(13)14/h1-4,10,12H,5-6H2/t9-/m1/s1
InChIKeyHORXYUYSSPXEPC-SECBINFHSA-N
XLogP0.39
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[2,3-dimethyl-1-(4-nitrophenyl)cyclobutyl]methanol
CID 67560752
[(3S)-3-(4-nitrophenyl)pyrrolidin-3-yl]carbamic acid
CID 69352323
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
(2S,3S)-2,3-bis(4-nitrophenyl)oxirane-2,3-dicarboxylic acid
CID 87672796
3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid
CID 103193801
chloromethane;2-(chloromethyl)-2-(4-nitrophenyl)-1,3-dioxolane
CID 143933657
[1-(4-nitrophenyl)cyclobutyl]carbamic acid
CID 138543925
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
1-[1-(iodomethyl)cyclobutyl]-4-nitrobenzene
CID 59362303
dideuterio-(4-nitrophenyl)methanol
CID 10241023
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
ethanol;1-methyl-4-nitrobenzene
CID 91088173

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol?
The IUPAC name of [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol (CID 142235254) is [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol.
What is the SMILES notation for [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol?
The canonical SMILES for [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol is O=[N+]([O-])c1ccc([C@]2(CO)CN2)cc1.
What is the InChIKey of [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol?
The InChIKey is HORXYUYSSPXEPC-SECBINFHSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-6-9(5-10-9)7-1-3-8(4-2-7)11(13)14/h1-4,10,12H,5-6H2/t9-/m1/s1.
What are the key properties of [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol?
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol has a molecular weight of 194.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol is sourced from PubChem (CID 142235254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).