(2R)-1-chloro-2-phenylaziridine

C8H8ClN — CID 13129910

IUPAC(2R)-1-chloro-2-phenylaziridine
SMILESClN1C[C@H]1c1ccccc1
InChIInChI=1S/C8H8ClN/c9-10-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,10?/m0/s1
InChIKeyAEMNYYAEYCKDDM-PEHGTWAWSA-N
MW153.61 g/mol
LogP2.20
Rot. Bonds1

About (2R)-1-chloro-2-phenylaziridine

(2R)-1-chloro-2-phenylaziridine (PubChem CID 13129910) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is (2R)-1-chloro-2-phenylaziridine.

Molecular Properties

Compound Name(2R)-1-chloro-2-phenylaziridine
PubChem CID13129910
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name(2R)-1-chloro-2-phenylaziridine
SMILESClN1C[C@H]1c1ccccc1
InChIInChI=1S/C8H8ClN/c9-10-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,10?/m0/s1
InChIKeyAEMNYYAEYCKDDM-PEHGTWAWSA-N
XLogP2.20
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylaziridine-1-carboxylic acid
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CID 53230801
CID 53230801
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
1-chloro-3-phenylpiperazine
CID 18428014
1-methyl-2-phenylazetidine
CID 576373
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
3-(2-phenylaziridin-1-yl)propan-1-amine
CID 158362173
(3R,5R)-1,5-diphenylpyrrolidin-3-amine
CID 125491761
1-benzyl-4-iodo-2-phenylpiperazine
CID 163774548

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-2-phenylaziridine?
The IUPAC name of (2R)-1-chloro-2-phenylaziridine (CID 13129910) is (2R)-1-chloro-2-phenylaziridine.
What is the SMILES notation for (2R)-1-chloro-2-phenylaziridine?
The canonical SMILES for (2R)-1-chloro-2-phenylaziridine is ClN1C[C@H]1c1ccccc1.
What is the InChIKey of (2R)-1-chloro-2-phenylaziridine?
The InChIKey is AEMNYYAEYCKDDM-PEHGTWAWSA-N. The full InChI is InChI=1S/C8H8ClN/c9-10-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,10?/m0/s1.
What are the key properties of (2R)-1-chloro-2-phenylaziridine?
(2R)-1-chloro-2-phenylaziridine has a molecular weight of 153.61 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-2-phenylaziridine is sourced from PubChem (CID 13129910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).