2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide

C6H11ClN2O — CID 107899675

IUPAC2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC/C=C/Cl
InChIInChI=1S/C6H11ClN2O/c1-8-6(10)5-9-4-2-3-7/h2-3,9H,4-5H2,1H3,(H,8,10)/b3-2+
InChIKeyFYGBSXLVTNTTIB-NSCUHMNNSA-N
MW162.62 g/mol
LogP0.07
Rot. Bonds4

About 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide

2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide (PubChem CID 107899675) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide
PubChem CID107899675
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC/C=C/Cl
InChIInChI=1S/C6H11ClN2O/c1-8-6(10)5-9-4-2-3-7/h2-3,9H,4-5H2,1H3,(H,8,10)/b3-2+
InChIKeyFYGBSXLVTNTTIB-NSCUHMNNSA-N
XLogP0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide (CID 107899675) is 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide is CNC(=O)CNC/C=C/Cl.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide?
The InChIKey is FYGBSXLVTNTTIB-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11ClN2O/c1-8-6(10)5-9-4-2-3-7/h2-3,9H,4-5H2,1H3,(H,8,10)/b3-2+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide?
2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide has a molecular weight of 162.62 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]amino]-N-methylacetamide is sourced from PubChem (CID 107899675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).