(2S)-1,2-dimethylaziridine

C4H9N — CID 12695792

IUPAC(2S)-1,2-dimethylaziridine
SMILESC[C@H]1CN1C
InChIInChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyLDUKCCKFNKIVMS-ROLXFIACSA-N
MW71.12 g/mol
LogP0.32
Rot. Bonds

About (2S)-1,2-dimethylaziridine

(2S)-1,2-dimethylaziridine (PubChem CID 12695792) has the molecular formula C4H9N and a molecular weight of 71.12 g/mol. Its IUPAC name is (2S)-1,2-dimethylaziridine.

Molecular Properties

Compound Name(2S)-1,2-dimethylaziridine
PubChem CID12695792
Molecular FormulaC4H9N
Molecular Weight71.12 g/mol
Exact Mass71.07
IUPAC Name(2S)-1,2-dimethylaziridine
SMILESC[C@H]1CN1C
InChIInChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyLDUKCCKFNKIVMS-ROLXFIACSA-N
XLogP0.32
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.12
LogP ≤ 50.32
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)-1,2-dimethylaziridine?
The IUPAC name of (2S)-1,2-dimethylaziridine (CID 12695792) is (2S)-1,2-dimethylaziridine.
What is the SMILES notation for (2S)-1,2-dimethylaziridine?
The canonical SMILES for (2S)-1,2-dimethylaziridine is C[C@H]1CN1C.
What is the InChIKey of (2S)-1,2-dimethylaziridine?
The InChIKey is LDUKCCKFNKIVMS-ROLXFIACSA-N. The full InChI is InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (2S)-1,2-dimethylaziridine?
(2S)-1,2-dimethylaziridine has a molecular weight of 71.12 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethylaziridine is sourced from PubChem (CID 12695792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).