1-benzhydrylaziridin-2-ol

C15H15NO — CID 22253575

IUPAC1-benzhydrylaziridin-2-ol
SMILESOC1CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO/c17-14-11-16(14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2
InChIKeyMRVMGOZHHQIJGA-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.41
Rot. Bonds3

About 1-benzhydrylaziridin-2-ol

1-benzhydrylaziridin-2-ol (PubChem CID 22253575) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-benzhydrylaziridin-2-ol.

Molecular Properties

Compound Name1-benzhydrylaziridin-2-ol
PubChem CID22253575
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-benzhydrylaziridin-2-ol
SMILESOC1CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO/c17-14-11-16(14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2
InChIKeyMRVMGOZHHQIJGA-UHFFFAOYSA-N
XLogP2.41
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-benzhydryl-2-methylazetidin-3-ol
CID 135395570
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol
CID 10243988
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol;oxalic acid
CID 67885458
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227
(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane
CID 122467029
[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol
CID 57271449
(3S)-1-benzhydryl-3-methoxy-2-methylazetidine
CID 71241122
(2R)-1-benzhydryl-2-methylazetidin-3-one
CID 92860345
1-benzhydrylazetidine-2-carbaldehyde
CID 12717145
N-(1-benzhydrylazetidin-3-ylidene)hydroxylamine
CID 3343354
1-benzhydryl-N'-hydroxyazetidine-3-carboximidamide
CID 21305029

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylaziridin-2-ol?
The IUPAC name of 1-benzhydrylaziridin-2-ol (CID 22253575) is 1-benzhydrylaziridin-2-ol.
What is the SMILES notation for 1-benzhydrylaziridin-2-ol?
The canonical SMILES for 1-benzhydrylaziridin-2-ol is OC1CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydrylaziridin-2-ol?
The InChIKey is MRVMGOZHHQIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-14-11-16(14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H,11H2.
What are the key properties of 1-benzhydrylaziridin-2-ol?
1-benzhydrylaziridin-2-ol has a molecular weight of 225.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylaziridin-2-ol is sourced from PubChem (CID 22253575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).