(2R,3R)-3-phenylaziridine-2-carbonitrile

C9H8N2 — CID 13181977

IUPAC(2R,3R)-3-phenylaziridine-2-carbonitrile
SMILESN#C[C@@H]1N[C@@H]1c1ccccc1
InChIInChI=1S/C9H8N2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H/t8-,9+/m0/s1
InChIKeyPBNPTRKEHUFRPP-DTWKUNHWSA-N
MW144.18 g/mol
LogP1.22
Rot. Bonds1

About (2R,3R)-3-phenylaziridine-2-carbonitrile

(2R,3R)-3-phenylaziridine-2-carbonitrile (PubChem CID 13181977) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is (2R,3R)-3-phenylaziridine-2-carbonitrile.

Molecular Properties

Compound Name(2R,3R)-3-phenylaziridine-2-carbonitrile
PubChem CID13181977
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name(2R,3R)-3-phenylaziridine-2-carbonitrile
SMILESN#C[C@@H]1N[C@@H]1c1ccccc1
InChIInChI=1S/C9H8N2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H/t8-,9+/m0/s1
InChIKeyPBNPTRKEHUFRPP-DTWKUNHWSA-N
XLogP1.22
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.22
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

5-phenyltriazolidine-4-carbonitrile
CID 53435905
(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
CID 54650611
4-phenylpyrazolidine-3-carbonitrile
CID 53426776
3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
CID 45036955
5,6-diphenyl-3-sulfanylidenediazinane-4-carbonitrile
CID 78294179
(3R,4S)-4-phenylazetidine-2,3-diol
CID 143371351
(4S)-4,5-diphenylimidazolidine-2-carbaldehyde
CID 88594019
(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile
CID 101394519
(2S,3R)-2-tert-butyl-3-phenylaziridine
CID 164511262
3,5-diphenylpyrazolidine-4-carbaldehyde
CID 73196349
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
2,3-diphenylpiperazine;hydrochloride
CID 175072756

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-phenylaziridine-2-carbonitrile?
The IUPAC name of (2R,3R)-3-phenylaziridine-2-carbonitrile (CID 13181977) is (2R,3R)-3-phenylaziridine-2-carbonitrile.
What is the SMILES notation for (2R,3R)-3-phenylaziridine-2-carbonitrile?
The canonical SMILES for (2R,3R)-3-phenylaziridine-2-carbonitrile is N#C[C@@H]1N[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-3-phenylaziridine-2-carbonitrile?
The InChIKey is PBNPTRKEHUFRPP-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H/t8-,9+/m0/s1.
What are the key properties of (2R,3R)-3-phenylaziridine-2-carbonitrile?
(2R,3R)-3-phenylaziridine-2-carbonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-phenylaziridine-2-carbonitrile is sourced from PubChem (CID 13181977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).