(2S)-1-ethenyl-2-methylaziridine

C5H9N — CID 147581884

IUPAC(2S)-1-ethenyl-2-methylaziridine
SMILESC=CN1C[C@@H]1C
InChIInChI=1S/C5H9N/c1-3-6-4-5(6)2/h3,5H,1,4H2,2H3/t5-,6?/m0/s1
InChIKeyFWOVFWAZHKSVHY-ZBHICJROSA-N
MW83.13 g/mol
LogP0.83
Rot. Bonds1

About (2S)-1-ethenyl-2-methylaziridine

(2S)-1-ethenyl-2-methylaziridine (PubChem CID 147581884) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is (2S)-1-ethenyl-2-methylaziridine.

Molecular Properties

Compound Name(2S)-1-ethenyl-2-methylaziridine
PubChem CID147581884
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name(2S)-1-ethenyl-2-methylaziridine
SMILESC=CN1C[C@@H]1C
InChIInChI=1S/C5H9N/c1-3-6-4-5(6)2/h3,5H,1,4H2,2H3/t5-,6?/m0/s1
InChIKeyFWOVFWAZHKSVHY-ZBHICJROSA-N
XLogP0.83
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.83
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 (2S)-1-ethenyl-2-methylaziridine?
The IUPAC name of (2S)-1-ethenyl-2-methylaziridine (CID 147581884) is (2S)-1-ethenyl-2-methylaziridine.
What is the SMILES notation for (2S)-1-ethenyl-2-methylaziridine?
The canonical SMILES for (2S)-1-ethenyl-2-methylaziridine is C=CN1C[C@@H]1C.
What is the InChIKey of (2S)-1-ethenyl-2-methylaziridine?
The InChIKey is FWOVFWAZHKSVHY-ZBHICJROSA-N. The full InChI is InChI=1S/C5H9N/c1-3-6-4-5(6)2/h3,5H,1,4H2,2H3/t5-,6?/m0/s1.
What are the key properties of (2S)-1-ethenyl-2-methylaziridine?
(2S)-1-ethenyl-2-methylaziridine has a molecular weight of 83.13 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethenyl-2-methylaziridine is sourced from PubChem (CID 147581884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).