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

C24H22N2O — CID 132540375

IUPAC1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N([C@]2(c3ccccc3)N[C@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O/c1-23(2)19-15-9-10-16-20(19)26(22(23)27)24(18-13-7-4-8-14-18)21(25-24)17-11-5-3-6-12-17/h3-16,21,25H,1-2H3/t21-,24-/m0/s1
InChIKeyZVOOWXXTNYCKHO-URXFXBBRSA-N
MW354.45 g/mol
LogP4.51
Rot. Bonds3

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

1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one (PubChem CID 132540375) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one
PubChem CID132540375
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N([C@]2(c3ccccc3)N[C@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C24H22N2O/c1-23(2)19-15-9-10-16-20(19)26(22(23)27)24(18-13-7-4-8-14-18)21(25-24)17-11-5-3-6-12-17/h3-16,21,25H,1-2H3/t21-,24-/m0/s1
InChIKeyZVOOWXXTNYCKHO-URXFXBBRSA-N
XLogP4.51
TPSA42.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.51
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

(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
1-methoxy-3,3-diphenylindol-2-one
CID 156782915
9,9,10-trimethylacridine
CID 610451
N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine
CID 145413543
(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
CID 125117217
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one;ethane
CID 157034638
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
CID 135025693
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 12555375
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole
CID 134962187

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one?
The IUPAC name of 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one (CID 132540375) is 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one is CC1(C)C(=O)N([C@]2(c3ccccc3)N[C@H]2c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one?
The InChIKey is ZVOOWXXTNYCKHO-URXFXBBRSA-N. The full InChI is InChI=1S/C24H22N2O/c1-23(2)19-15-9-10-16-20(19)26(22(23)27)24(18-13-7-4-8-14-18)21(25-24)17-11-5-3-6-12-17/h3-16,21,25H,1-2H3/t21-,24-/m0/s1.
What are the key properties of 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one?
1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 132540375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).