2-(chloromethyl)oxirane;oxiran-2-ylmethanamine

C6H12ClNO2 — CID 166746758

IUPAC2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
SMILESClCC1CO1.NCC1CO1
InChIInChI=1S/C3H5ClO.C3H7NO/c2*4-1-3-2-5-3/h3H,1-2H2;3H,1-2,4H2
InChIKeyJGBCAUGLEFTKDQ-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.03
Rot. Bonds2

About 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine

2-(chloromethyl)oxirane;oxiran-2-ylmethanamine (PubChem CID 166746758) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine.

Molecular Properties

Compound Name2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
PubChem CID166746758
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
SMILESClCC1CO1.NCC1CO1
InChIInChI=1S/C3H5ClO.C3H7NO/c2*4-1-3-2-5-3/h3H,1-2H2;3H,1-2,4H2
InChIKeyJGBCAUGLEFTKDQ-UHFFFAOYSA-N
XLogP-0.03
TPSA51.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(chloromethyl)oxirane;oxiran-2-ylmethanamine?
The IUPAC name of 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine (CID 166746758) is 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine.
What is the SMILES notation for 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine?
The canonical SMILES for 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine is ClCC1CO1.NCC1CO1.
What is the InChIKey of 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine?
The InChIKey is JGBCAUGLEFTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.C3H7NO/c2*4-1-3-2-5-3/h3H,1-2H2;3H,1-2,4H2.
What are the key properties of 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine?
2-(chloromethyl)oxirane;oxiran-2-ylmethanamine has a molecular weight of 165.62 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)oxirane;oxiran-2-ylmethanamine is sourced from PubChem (CID 166746758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).