1-(2-chloro-1-ethoxyethyl)aziridine

C6H12ClNO — CID 567818

IUPAC1-(2-chloro-1-ethoxyethyl)aziridine
SMILESCCOC(CCl)N1CC1
InChIInChI=1S/C6H12ClNO/c1-2-9-6(5-7)8-3-4-8/h6H,2-5H2,1H3
InChIKeyMPCLVJNIEFEFLC-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.90
Rot. Bonds4

About 1-(2-chloro-1-ethoxyethyl)aziridine

1-(2-chloro-1-ethoxyethyl)aziridine (PubChem CID 567818) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-(2-chloro-1-ethoxyethyl)aziridine.

Molecular Properties

Compound Name1-(2-chloro-1-ethoxyethyl)aziridine
PubChem CID567818
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name1-(2-chloro-1-ethoxyethyl)aziridine
SMILESCCOC(CCl)N1CC1
InChIInChI=1S/C6H12ClNO/c1-2-9-6(5-7)8-3-4-8/h6H,2-5H2,1H3
InChIKeyMPCLVJNIEFEFLC-UHFFFAOYSA-N
XLogP0.90
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(2-chloro-1-ethoxyethyl)aziridine?
The IUPAC name of 1-(2-chloro-1-ethoxyethyl)aziridine (CID 567818) is 1-(2-chloro-1-ethoxyethyl)aziridine.
What is the SMILES notation for 1-(2-chloro-1-ethoxyethyl)aziridine?
The canonical SMILES for 1-(2-chloro-1-ethoxyethyl)aziridine is CCOC(CCl)N1CC1.
What is the InChIKey of 1-(2-chloro-1-ethoxyethyl)aziridine?
The InChIKey is MPCLVJNIEFEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-2-9-6(5-7)8-3-4-8/h6H,2-5H2,1H3.
What are the key properties of 1-(2-chloro-1-ethoxyethyl)aziridine?
1-(2-chloro-1-ethoxyethyl)aziridine has a molecular weight of 149.62 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-ethoxyethyl)aziridine is sourced from PubChem (CID 567818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).