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

C5H11N — CID 55287043

IUPAC(3R)-2,2,3-trimethylaziridine
SMILESC[C@H]1NC1(C)C
InChIInChI=1S/C5H11N/c1-4-5(2,3)6-4/h4,6H,1-3H3/t4-/m1/s1
InChIKeyAMDSLFHCCDFCGU-SCSAIBSYSA-N
MW85.15 g/mol
LogP0.76
Rot. Bonds

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

(3R)-2,2,3-trimethylaziridine (PubChem CID 55287043) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is (3R)-2,2,3-trimethylaziridine.

Molecular Properties

Compound Name(3R)-2,2,3-trimethylaziridine
PubChem CID55287043
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name(3R)-2,2,3-trimethylaziridine
SMILESC[C@H]1NC1(C)C
InChIInChI=1S/C5H11N/c1-4-5(2,3)6-4/h4,6H,1-3H3/t4-/m1/s1
InChIKeyAMDSLFHCCDFCGU-SCSAIBSYSA-N
XLogP0.76
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.76
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 (3R)-2,2,3-trimethylaziridine?
The IUPAC name of (3R)-2,2,3-trimethylaziridine (CID 55287043) is (3R)-2,2,3-trimethylaziridine.
What is the SMILES notation for (3R)-2,2,3-trimethylaziridine?
The canonical SMILES for (3R)-2,2,3-trimethylaziridine is C[C@H]1NC1(C)C.
What is the InChIKey of (3R)-2,2,3-trimethylaziridine?
The InChIKey is AMDSLFHCCDFCGU-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11N/c1-4-5(2,3)6-4/h4,6H,1-3H3/t4-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethylaziridine?
(3R)-2,2,3-trimethylaziridine has a molecular weight of 85.15 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethylaziridine is sourced from PubChem (CID 55287043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).