2-(ethenylamino)-2-methyliminoacetyl chloride

C5H7ClN2O — CID 123840567

IUPAC2-(ethenylamino)-2-methyliminoacetyl chloride
SMILESC=CN/C(=N/C)C(=O)Cl
InChIInChI=1S/C5H7ClN2O/c1-3-8-5(7-2)4(6)9/h3H,1H2,2H3,(H,7,8)
InChIKeyXDCCTNRURGJPTK-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.51
Rot. Bonds2

About 2-(ethenylamino)-2-methyliminoacetyl chloride

2-(ethenylamino)-2-methyliminoacetyl chloride (PubChem CID 123840567) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 2-(ethenylamino)-2-methyliminoacetyl chloride.

Molecular Properties

Compound Name2-(ethenylamino)-2-methyliminoacetyl chloride
PubChem CID123840567
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name2-(ethenylamino)-2-methyliminoacetyl chloride
SMILESC=CN/C(=N/C)C(=O)Cl
InChIInChI=1S/C5H7ClN2O/c1-3-8-5(7-2)4(6)9/h3H,1H2,2H3,(H,7,8)
InChIKeyXDCCTNRURGJPTK-UHFFFAOYSA-N
XLogP0.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenylamino)-2-methyliminoacetyl chloride?
The IUPAC name of 2-(ethenylamino)-2-methyliminoacetyl chloride (CID 123840567) is 2-(ethenylamino)-2-methyliminoacetyl chloride.
What is the SMILES notation for 2-(ethenylamino)-2-methyliminoacetyl chloride?
The canonical SMILES for 2-(ethenylamino)-2-methyliminoacetyl chloride is C=CN/C(=N/C)C(=O)Cl.
What is the InChIKey of 2-(ethenylamino)-2-methyliminoacetyl chloride?
The InChIKey is XDCCTNRURGJPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-3-8-5(7-2)4(6)9/h3H,1H2,2H3,(H,7,8).
What are the key properties of 2-(ethenylamino)-2-methyliminoacetyl chloride?
2-(ethenylamino)-2-methyliminoacetyl chloride has a molecular weight of 146.58 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylamino)-2-methyliminoacetyl chloride is sourced from PubChem (CID 123840567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).