(3R)-1,2,2-trimethyl-3-phenylaziridine

C11H15N — CID 99770138

IUPAC(3R)-1,2,2-trimethyl-3-phenylaziridine
SMILESCN1[C@H](c2ccccc2)C1(C)C
InChIInChI=1S/C11H15N/c1-11(2)10(12(11)3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-,12?/m1/s1
InChIKeySOJLUMSKGCNGIB-RWANSRKNSA-N
MW161.25 g/mol
LogP2.45
Rot. Bonds1

About (3R)-1,2,2-trimethyl-3-phenylaziridine

(3R)-1,2,2-trimethyl-3-phenylaziridine (PubChem CID 99770138) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3R)-1,2,2-trimethyl-3-phenylaziridine.

Molecular Properties

Compound Name(3R)-1,2,2-trimethyl-3-phenylaziridine
PubChem CID99770138
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3R)-1,2,2-trimethyl-3-phenylaziridine
SMILESCN1[C@H](c2ccccc2)C1(C)C
InChIInChI=1S/C11H15N/c1-11(2)10(12(11)3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-,12?/m1/s1
InChIKeySOJLUMSKGCNGIB-RWANSRKNSA-N
XLogP2.45
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 12547279
(3R)-1-tert-butylsulfinyl-2,2-dimethyl-3-phenylaziridine
CID 102254705
2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione
CID 13275802
1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
CID 174976143
2,2,3,4-tetramethyl-5-phenyl-1,3-oxazolidine
CID 68632441
1,2,2-trimethyl-5-phenylpyrrolidin-3-one
CID 6420665
(1R,5R)-8-methyl-1,2-diphenyl-8-azabicyclo[3.2.1]octane
CID 70215581
(2R,3R)-2,3-diphenyl-1-azabicyclo[1.1.0]butane
CID 134895589
N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide
CID 95989767
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(2,2,5,5-Tetramethyl-3-phenylpyrrolidin-1-yl)oxidanyl
CID 165349143
3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione
CID 13214781

Frequently Asked Questions

What is the IUPAC name of (3R)-1,2,2-trimethyl-3-phenylaziridine?
The IUPAC name of (3R)-1,2,2-trimethyl-3-phenylaziridine (CID 99770138) is (3R)-1,2,2-trimethyl-3-phenylaziridine.
What is the SMILES notation for (3R)-1,2,2-trimethyl-3-phenylaziridine?
The canonical SMILES for (3R)-1,2,2-trimethyl-3-phenylaziridine is CN1[C@H](c2ccccc2)C1(C)C.
What is the InChIKey of (3R)-1,2,2-trimethyl-3-phenylaziridine?
The InChIKey is SOJLUMSKGCNGIB-RWANSRKNSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)10(12(11)3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-,12?/m1/s1.
What are the key properties of (3R)-1,2,2-trimethyl-3-phenylaziridine?
(3R)-1,2,2-trimethyl-3-phenylaziridine has a molecular weight of 161.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,2,2-trimethyl-3-phenylaziridine is sourced from PubChem (CID 99770138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).