1-chloro-2,2,3,3-tetramethylaziridine

C6H12ClN — CID 12568316

IUPAC1-chloro-2,2,3,3-tetramethylaziridine
SMILESCC1(C)N(Cl)C1(C)C
InChIInChI=1S/C6H12ClN/c1-5(2)6(3,4)8(5)7/h1-4H3
InChIKeyJHJSZKRHBQRBPT-UHFFFAOYSA-N
MW133.62 g/mol
LogP2.01
Rot. Bonds

About 1-chloro-2,2,3,3-tetramethylaziridine

1-chloro-2,2,3,3-tetramethylaziridine (PubChem CID 12568316) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 1-chloro-2,2,3,3-tetramethylaziridine.

Molecular Properties

Compound Name1-chloro-2,2,3,3-tetramethylaziridine
PubChem CID12568316
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name1-chloro-2,2,3,3-tetramethylaziridine
SMILESCC1(C)N(Cl)C1(C)C
InChIInChI=1S/C6H12ClN/c1-5(2)6(3,4)8(5)7/h1-4H3
InChIKeyJHJSZKRHBQRBPT-UHFFFAOYSA-N
XLogP2.01
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2,3,3-tetramethylaziridine?
The IUPAC name of 1-chloro-2,2,3,3-tetramethylaziridine (CID 12568316) is 1-chloro-2,2,3,3-tetramethylaziridine.
What is the SMILES notation for 1-chloro-2,2,3,3-tetramethylaziridine?
The canonical SMILES for 1-chloro-2,2,3,3-tetramethylaziridine is CC1(C)N(Cl)C1(C)C.
What is the InChIKey of 1-chloro-2,2,3,3-tetramethylaziridine?
The InChIKey is JHJSZKRHBQRBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN/c1-5(2)6(3,4)8(5)7/h1-4H3.
What are the key properties of 1-chloro-2,2,3,3-tetramethylaziridine?
1-chloro-2,2,3,3-tetramethylaziridine has a molecular weight of 133.62 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2,3,3-tetramethylaziridine is sourced from PubChem (CID 12568316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).