chloromethane;N-ethenylformamide

C4H8ClNO — CID 22416281

IUPACchloromethane;N-ethenylformamide
SMILESC=CNC=O.CCl
InChIInChI=1S/C3H5NO.CH3Cl/c1-2-4-3-5;1-2/h2-3H,1H2,(H,4,5);1H3
InChIKeyAFTWHPFAPJJLDQ-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.73
Rot. Bonds2

About chloromethane;N-ethenylformamide

chloromethane;N-ethenylformamide (PubChem CID 22416281) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is chloromethane;N-ethenylformamide.

Molecular Properties

Compound Namechloromethane;N-ethenylformamide
PubChem CID22416281
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Namechloromethane;N-ethenylformamide
SMILESC=CNC=O.CCl
InChIInChI=1S/C3H5NO.CH3Cl/c1-2-4-3-5;1-2/h2-3H,1H2,(H,4,5);1H3
InChIKeyAFTWHPFAPJJLDQ-UHFFFAOYSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethane;N-ethenylformamide?
The IUPAC name of chloromethane;N-ethenylformamide (CID 22416281) is chloromethane;N-ethenylformamide.
What is the SMILES notation for chloromethane;N-ethenylformamide?
The canonical SMILES for chloromethane;N-ethenylformamide is C=CNC=O.CCl.
What is the InChIKey of chloromethane;N-ethenylformamide?
The InChIKey is AFTWHPFAPJJLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.CH3Cl/c1-2-4-3-5;1-2/h2-3H,1H2,(H,4,5);1H3.
What are the key properties of chloromethane;N-ethenylformamide?
chloromethane;N-ethenylformamide has a molecular weight of 121.57 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N-ethenylformamide is sourced from PubChem (CID 22416281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).