methylamino 2-chloroethanimidate

C3H7ClN2O — CID 142422213

IUPACmethylamino 2-chloroethanimidate
SMILES[H]/N=C(\CCl)ONC
InChIInChI=1S/C3H7ClN2O/c1-6-7-3(5)2-4/h5-6H,2H2,1H3/b5-3+
InChIKeyVMFLRWAZYWEEOP-HWKANZROSA-N
MW122.55 g/mol
LogP0.35
Rot. Bonds2

About methylamino 2-chloroethanimidate

methylamino 2-chloroethanimidate (PubChem CID 142422213) has the molecular formula C3H7ClN2O and a molecular weight of 122.55 g/mol. Its IUPAC name is methylamino 2-chloroethanimidate.

Molecular Properties

Compound Namemethylamino 2-chloroethanimidate
PubChem CID142422213
Molecular FormulaC3H7ClN2O
Molecular Weight122.55 g/mol
Exact Mass122.02
IUPAC Namemethylamino 2-chloroethanimidate
SMILES[H]/N=C(\CCl)ONC
InChIInChI=1S/C3H7ClN2O/c1-6-7-3(5)2-4/h5-6H,2H2,1H3/b5-3+
InChIKeyVMFLRWAZYWEEOP-HWKANZROSA-N
XLogP0.35
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.55
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methylamino 2-chloroethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylamino 2-chloroethanimidate?
The IUPAC name of methylamino 2-chloroethanimidate (CID 142422213) is methylamino 2-chloroethanimidate.
What is the SMILES notation for methylamino 2-chloroethanimidate?
The canonical SMILES for methylamino 2-chloroethanimidate is [H]/N=C(\CCl)ONC.
What is the InChIKey of methylamino 2-chloroethanimidate?
The InChIKey is VMFLRWAZYWEEOP-HWKANZROSA-N. The full InChI is InChI=1S/C3H7ClN2O/c1-6-7-3(5)2-4/h5-6H,2H2,1H3/b5-3+.
What are the key properties of methylamino 2-chloroethanimidate?
methylamino 2-chloroethanimidate has a molecular weight of 122.55 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-chloroethanimidate is sourced from PubChem (CID 142422213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).