(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile

C23H15N3O2 — CID 132563056

IUPAC(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile
SMILESN#C[C@]1(c2ccccc2)[C@H](c2ccccc2)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H15N3O2/c24-15-23(17-11-5-2-6-12-17)20(16-9-3-1-4-10-16)26(23)25-21(27)18-13-7-8-14-19(18)22(25)28/h1-14,20H/t20-,23-,26?/m0/s1
InChIKeyDKHXKAHMHJEZKC-YHBFXGCJSA-N
MW365.39 g/mol
LogP3.67
Rot. Bonds3

About (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile

(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile (PubChem CID 132563056) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile.

Molecular Properties

Compound Name(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile
PubChem CID132563056
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile
SMILESN#C[C@]1(c2ccccc2)[C@H](c2ccccc2)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H15N3O2/c24-15-23(17-11-5-2-6-12-17)20(16-9-3-1-4-10-16)26(23)25-21(27)18-13-7-8-14-19(18)22(25)28/h1-14,20H/t20-,23-,26?/m0/s1
InChIKeyDKHXKAHMHJEZKC-YHBFXGCJSA-N
XLogP3.67
TPSA64.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile?
The IUPAC name of (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile (CID 132563056) is (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile.
What is the SMILES notation for (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile?
The canonical SMILES for (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile is N#C[C@]1(c2ccccc2)[C@H](c2ccccc2)N1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile?
The InChIKey is DKHXKAHMHJEZKC-YHBFXGCJSA-N. The full InChI is InChI=1S/C23H15N3O2/c24-15-23(17-11-5-2-6-12-17)20(16-9-3-1-4-10-16)26(23)25-21(27)18-13-7-8-14-19(18)22(25)28/h1-14,20H/t20-,23-,26?/m0/s1.
What are the key properties of (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile?
(2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(1,3-dioxoisoindol-2-yl)-2,3-diphenylaziridine-2-carbonitrile is sourced from PubChem (CID 132563056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).