(2R,3S)-2-ethenyl-1,3-dimethylaziridine

C6H11N — CID 101194098

IUPAC(2R,3S)-2-ethenyl-1,3-dimethylaziridine
SMILESC=C[C@@H]1[C@H](C)N1C
InChIInChI=1S/C6H11N/c1-4-6-5(2)7(6)3/h4-6H,1H2,2-3H3/t5-,6+,7?/m0/s1
InChIKeyJREUOYRYQGTZQV-GFCOJPQKSA-N
MW97.16 g/mol
LogP0.87
Rot. Bonds1

About (2R,3S)-2-ethenyl-1,3-dimethylaziridine

(2R,3S)-2-ethenyl-1,3-dimethylaziridine (PubChem CID 101194098) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-1,3-dimethylaziridine.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-1,3-dimethylaziridine
PubChem CID101194098
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(2R,3S)-2-ethenyl-1,3-dimethylaziridine
SMILESC=C[C@@H]1[C@H](C)N1C
InChIInChI=1S/C6H11N/c1-4-6-5(2)7(6)3/h4-6H,1H2,2-3H3/t5-,6+,7?/m0/s1
InChIKeyJREUOYRYQGTZQV-GFCOJPQKSA-N
XLogP0.87
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethenyl-1,3-dimethylaziridine?
The IUPAC name of (2R,3S)-2-ethenyl-1,3-dimethylaziridine (CID 101194098) is (2R,3S)-2-ethenyl-1,3-dimethylaziridine.
What is the SMILES notation for (2R,3S)-2-ethenyl-1,3-dimethylaziridine?
The canonical SMILES for (2R,3S)-2-ethenyl-1,3-dimethylaziridine is C=C[C@@H]1[C@H](C)N1C.
What is the InChIKey of (2R,3S)-2-ethenyl-1,3-dimethylaziridine?
The InChIKey is JREUOYRYQGTZQV-GFCOJPQKSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6-5(2)7(6)3/h4-6H,1H2,2-3H3/t5-,6+,7?/m0/s1.
What are the key properties of (2R,3S)-2-ethenyl-1,3-dimethylaziridine?
(2R,3S)-2-ethenyl-1,3-dimethylaziridine has a molecular weight of 97.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-1,3-dimethylaziridine is sourced from PubChem (CID 101194098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).