2-chloroethyl 2-methylaziridine-1-carboxylate

C6H10ClNO2 — CID 55302604

IUPAC2-chloroethyl 2-methylaziridine-1-carboxylate
SMILESCC1CN1C(=O)OCCCl
InChIInChI=1S/C6H10ClNO2/c1-5-4-8(5)6(9)10-3-2-7/h5H,2-4H2,1H3
InChIKeyWINMAKQAKYEADW-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.07
Rot. Bonds2

About 2-chloroethyl 2-methylaziridine-1-carboxylate

2-chloroethyl 2-methylaziridine-1-carboxylate (PubChem CID 55302604) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 2-chloroethyl 2-methylaziridine-1-carboxylate.

Molecular Properties

Compound Name2-chloroethyl 2-methylaziridine-1-carboxylate
PubChem CID55302604
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name2-chloroethyl 2-methylaziridine-1-carboxylate
SMILESCC1CN1C(=O)OCCCl
InChIInChI=1S/C6H10ClNO2/c1-5-4-8(5)6(9)10-3-2-7/h5H,2-4H2,1H3
InChIKeyWINMAKQAKYEADW-UHFFFAOYSA-N
XLogP1.07
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.07
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 2-chloroethyl 2-methylaziridine-1-carboxylate?
The IUPAC name of 2-chloroethyl 2-methylaziridine-1-carboxylate (CID 55302604) is 2-chloroethyl 2-methylaziridine-1-carboxylate.
What is the SMILES notation for 2-chloroethyl 2-methylaziridine-1-carboxylate?
The canonical SMILES for 2-chloroethyl 2-methylaziridine-1-carboxylate is CC1CN1C(=O)OCCCl.
What is the InChIKey of 2-chloroethyl 2-methylaziridine-1-carboxylate?
The InChIKey is WINMAKQAKYEADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-5-4-8(5)6(9)10-3-2-7/h5H,2-4H2,1H3.
What are the key properties of 2-chloroethyl 2-methylaziridine-1-carboxylate?
2-chloroethyl 2-methylaziridine-1-carboxylate has a molecular weight of 163.60 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-methylaziridine-1-carboxylate is sourced from PubChem (CID 55302604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).