2-(bromomethyl)oxirane;N-methylmethanamine

C5H12BrNO — CID 146308316

IUPAC2-(bromomethyl)oxirane;N-methylmethanamine
SMILESBrCC1CO1.CNC
InChIInChI=1S/C3H5BrO.C2H7N/c4-1-3-2-5-3;1-3-2/h3H,1-2H2;3H,1-2H3
InChIKeyONXMQSBFNGFFCO-UHFFFAOYSA-N
MW182.06 g/mol
LogP0.62
Rot. Bonds1

About 2-(bromomethyl)oxirane;N-methylmethanamine

2-(bromomethyl)oxirane;N-methylmethanamine (PubChem CID 146308316) has the molecular formula C5H12BrNO and a molecular weight of 182.06 g/mol. Its IUPAC name is 2-(bromomethyl)oxirane;N-methylmethanamine.

Molecular Properties

Compound Name2-(bromomethyl)oxirane;N-methylmethanamine
PubChem CID146308316
Molecular FormulaC5H12BrNO
Molecular Weight182.06 g/mol
Exact Mass181.01
IUPAC Name2-(bromomethyl)oxirane;N-methylmethanamine
SMILESBrCC1CO1.CNC
InChIInChI=1S/C3H5BrO.C2H7N/c4-1-3-2-5-3;1-3-2/h3H,1-2H2;3H,1-2H3
InChIKeyONXMQSBFNGFFCO-UHFFFAOYSA-N
XLogP0.62
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 50.62
H-Bond Donors ≤ 51
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-(bromomethyl)oxirane;N-methylmethanamine?
The IUPAC name of 2-(bromomethyl)oxirane;N-methylmethanamine (CID 146308316) is 2-(bromomethyl)oxirane;N-methylmethanamine.
What is the SMILES notation for 2-(bromomethyl)oxirane;N-methylmethanamine?
The canonical SMILES for 2-(bromomethyl)oxirane;N-methylmethanamine is BrCC1CO1.CNC.
What is the InChIKey of 2-(bromomethyl)oxirane;N-methylmethanamine?
The InChIKey is ONXMQSBFNGFFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO.C2H7N/c4-1-3-2-5-3;1-3-2/h3H,1-2H2;3H,1-2H3.
What are the key properties of 2-(bromomethyl)oxirane;N-methylmethanamine?
2-(bromomethyl)oxirane;N-methylmethanamine has a molecular weight of 182.06 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)oxirane;N-methylmethanamine is sourced from PubChem (CID 146308316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).