2-(chloromethyl)oxirane;prop-2-enamide

C6H10ClNO2 — CID 161187298

IUPAC2-(chloromethyl)oxirane;prop-2-enamide
SMILESC=CC(N)=O.ClCC1CO1
InChIInChI=1S/C3H5ClO.C3H5NO/c4-1-3-2-5-3;1-2-3(4)5/h3H,1-2H2;2H,1H2,(H2,4,5)
InChIKeyUTGCQTANZCDTBH-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.28
Rot. Bonds2

About 2-(chloromethyl)oxirane;prop-2-enamide

2-(chloromethyl)oxirane;prop-2-enamide (PubChem CID 161187298) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 2-(chloromethyl)oxirane;prop-2-enamide.

Molecular Properties

Compound Name2-(chloromethyl)oxirane;prop-2-enamide
PubChem CID161187298
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name2-(chloromethyl)oxirane;prop-2-enamide
SMILESC=CC(N)=O.ClCC1CO1
InChIInChI=1S/C3H5ClO.C3H5NO/c4-1-3-2-5-3;1-2-3(4)5/h3H,1-2H2;2H,1H2,(H2,4,5)
InChIKeyUTGCQTANZCDTBH-UHFFFAOYSA-N
XLogP0.28
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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;prop-2-enamide?
The IUPAC name of 2-(chloromethyl)oxirane;prop-2-enamide (CID 161187298) is 2-(chloromethyl)oxirane;prop-2-enamide.
What is the SMILES notation for 2-(chloromethyl)oxirane;prop-2-enamide?
The canonical SMILES for 2-(chloromethyl)oxirane;prop-2-enamide is C=CC(N)=O.ClCC1CO1.
What is the InChIKey of 2-(chloromethyl)oxirane;prop-2-enamide?
The InChIKey is UTGCQTANZCDTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.C3H5NO/c4-1-3-2-5-3;1-2-3(4)5/h3H,1-2H2;2H,1H2,(H2,4,5).
What are the key properties of 2-(chloromethyl)oxirane;prop-2-enamide?
2-(chloromethyl)oxirane;prop-2-enamide has a molecular weight of 163.60 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)oxirane;prop-2-enamide is sourced from PubChem (CID 161187298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).