(2R,3R)-2-benzyl-3-methylaziridine

C10H13N — CID 15621251

IUPAC(2R,3R)-2-benzyl-3-methylaziridine
SMILESC[C@H]1N[C@@H]1Cc1ccccc1
InChIInChI=1S/C10H13N/c1-8-10(11-8)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-,10-/m1/s1
InChIKeyVITWGSRUBCMZAY-PSASIEDQSA-N
MW147.22 g/mol
LogP1.59
Rot. Bonds2

About (2R,3R)-2-benzyl-3-methylaziridine

(2R,3R)-2-benzyl-3-methylaziridine (PubChem CID 15621251) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2R,3R)-2-benzyl-3-methylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-benzyl-3-methylaziridine
PubChem CID15621251
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2R,3R)-2-benzyl-3-methylaziridine
SMILESC[C@H]1N[C@@H]1Cc1ccccc1
InChIInChI=1S/C10H13N/c1-8-10(11-8)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-,10-/m1/s1
InChIKeyVITWGSRUBCMZAY-PSASIEDQSA-N
XLogP1.59
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.59
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 (2R,3R)-2-benzyl-3-methylaziridine?
The IUPAC name of (2R,3R)-2-benzyl-3-methylaziridine (CID 15621251) is (2R,3R)-2-benzyl-3-methylaziridine.
What is the SMILES notation for (2R,3R)-2-benzyl-3-methylaziridine?
The canonical SMILES for (2R,3R)-2-benzyl-3-methylaziridine is C[C@H]1N[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R,3R)-2-benzyl-3-methylaziridine?
The InChIKey is VITWGSRUBCMZAY-PSASIEDQSA-N. The full InChI is InChI=1S/C10H13N/c1-8-10(11-8)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-2-benzyl-3-methylaziridine?
(2R,3R)-2-benzyl-3-methylaziridine has a molecular weight of 147.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzyl-3-methylaziridine is sourced from PubChem (CID 15621251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).