(2R)-2-benzyl-1-methylaziridine

C10H13N — CID 87174257

IUPAC(2R)-2-benzyl-1-methylaziridine
SMILESCN1C[C@H]1Cc1ccccc1
InChIInChI=1S/C10H13N/c1-11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11?/m1/s1
InChIKeyRSBKJYHKDQIYFZ-NFJWQWPMSA-N
MW147.22 g/mol
LogP1.54
Rot. Bonds2

About (2R)-2-benzyl-1-methylaziridine

(2R)-2-benzyl-1-methylaziridine (PubChem CID 87174257) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2R)-2-benzyl-1-methylaziridine.

Molecular Properties

Compound Name(2R)-2-benzyl-1-methylaziridine
PubChem CID87174257
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2R)-2-benzyl-1-methylaziridine
SMILESCN1C[C@H]1Cc1ccccc1
InChIInChI=1S/C10H13N/c1-11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11?/m1/s1
InChIKeyRSBKJYHKDQIYFZ-NFJWQWPMSA-N
XLogP1.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
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)-2-benzyl-1-methylaziridine?
The IUPAC name of (2R)-2-benzyl-1-methylaziridine (CID 87174257) is (2R)-2-benzyl-1-methylaziridine.
What is the SMILES notation for (2R)-2-benzyl-1-methylaziridine?
The canonical SMILES for (2R)-2-benzyl-1-methylaziridine is CN1C[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-1-methylaziridine?
The InChIKey is RSBKJYHKDQIYFZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C10H13N/c1-11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-benzyl-1-methylaziridine?
(2R)-2-benzyl-1-methylaziridine has a molecular weight of 147.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-methylaziridine is sourced from PubChem (CID 87174257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).