(2S)-2-(3-chloro-4-methylphenyl)aziridine

C9H10ClN — CID 55263390

IUPAC(2S)-2-(3-chloro-4-methylphenyl)aziridine
SMILESCc1ccc([C@H]2CN2)cc1Cl
InChIInChI=1S/C9H10ClN/c1-6-2-3-7(4-8(6)10)9-5-11-9/h2-4,9,11H,5H2,1H3/t9-/m1/s1
InChIKeyLXDALPGVDUTKKL-SECBINFHSA-N
MW167.64 g/mol
LogP2.29
Rot. Bonds1

About (2S)-2-(3-chloro-4-methylphenyl)aziridine

(2S)-2-(3-chloro-4-methylphenyl)aziridine (PubChem CID 55263390) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (2S)-2-(3-chloro-4-methylphenyl)aziridine.

Molecular Properties

Compound Name(2S)-2-(3-chloro-4-methylphenyl)aziridine
PubChem CID55263390
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(2S)-2-(3-chloro-4-methylphenyl)aziridine
SMILESCc1ccc([C@H]2CN2)cc1Cl
InChIInChI=1S/C9H10ClN/c1-6-2-3-7(4-8(6)10)9-5-11-9/h2-4,9,11H,5H2,1H3/t9-/m1/s1
InChIKeyLXDALPGVDUTKKL-SECBINFHSA-N
XLogP2.29
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-4-methylphenyl)aziridine?
The IUPAC name of (2S)-2-(3-chloro-4-methylphenyl)aziridine (CID 55263390) is (2S)-2-(3-chloro-4-methylphenyl)aziridine.
What is the SMILES notation for (2S)-2-(3-chloro-4-methylphenyl)aziridine?
The canonical SMILES for (2S)-2-(3-chloro-4-methylphenyl)aziridine is Cc1ccc([C@H]2CN2)cc1Cl.
What is the InChIKey of (2S)-2-(3-chloro-4-methylphenyl)aziridine?
The InChIKey is LXDALPGVDUTKKL-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-2-3-7(4-8(6)10)9-5-11-9/h2-4,9,11H,5H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(3-chloro-4-methylphenyl)aziridine?
(2S)-2-(3-chloro-4-methylphenyl)aziridine has a molecular weight of 167.64 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-4-methylphenyl)aziridine is sourced from PubChem (CID 55263390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).