1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one

C19H21NO — CID 14925845

IUPAC1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO/c1-19(2,3)18(21)20-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,20?
InChIKeySFJLFAMSXLYQNJ-XEWABKELSA-N
MW279.38 g/mol
LogP4.36
Rot. Bonds2

About 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one

1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 14925845) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID14925845
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO/c1-19(2,3)18(21)20-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,20?
InChIKeySFJLFAMSXLYQNJ-XEWABKELSA-N
XLogP4.36
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.36
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

tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 10916338
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 120746591
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one
CID 2794083
(5S,6S)-3-(2,2-dimethylpropanoyl)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 10979140
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one (CID 14925845) is 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SFJLFAMSXLYQNJ-XEWABKELSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2,3)18(21)20-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,20?.
What are the key properties of 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one?
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 14925845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).