(2R)-1,2,3-trimethylaziridine

C5H11N — CID 154470039

IUPAC(2R)-1,2,3-trimethylaziridine
SMILESCC1[C@@H](C)N1C
InChIInChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5?,6?/m1/s1
InChIKeyFACHDUAMWHEPML-IISSFJTQSA-N
MW85.15 g/mol
LogP0.71
Rot. Bonds

About (2R)-1,2,3-trimethylaziridine

(2R)-1,2,3-trimethylaziridine (PubChem CID 154470039) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is (2R)-1,2,3-trimethylaziridine.

Molecular Properties

Compound Name(2R)-1,2,3-trimethylaziridine
PubChem CID154470039
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name(2R)-1,2,3-trimethylaziridine
SMILESCC1[C@@H](C)N1C
InChIInChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5?,6?/m1/s1
InChIKeyFACHDUAMWHEPML-IISSFJTQSA-N
XLogP0.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.71
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)-1,2,3-trimethylaziridine?
The IUPAC name of (2R)-1,2,3-trimethylaziridine (CID 154470039) is (2R)-1,2,3-trimethylaziridine.
What is the SMILES notation for (2R)-1,2,3-trimethylaziridine?
The canonical SMILES for (2R)-1,2,3-trimethylaziridine is CC1[C@@H](C)N1C.
What is the InChIKey of (2R)-1,2,3-trimethylaziridine?
The InChIKey is FACHDUAMWHEPML-IISSFJTQSA-N. The full InChI is InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5?,6?/m1/s1.
What are the key properties of (2R)-1,2,3-trimethylaziridine?
(2R)-1,2,3-trimethylaziridine has a molecular weight of 85.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2,3-trimethylaziridine is sourced from PubChem (CID 154470039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).