2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide

C8H12Cl3NO — CID 10800362

IUPAC2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide
SMILESCC/C(C)=C\CNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl3NO/c1-3-6(2)4-5-12-7(13)8(9,10)11/h4H,3,5H2,1-2H3,(H,12,13)/b6-4-
InChIKeyPJEPQGPLIMVRLH-XQRVVYSFSA-N
MW244.55 g/mol
LogP2.83
Rot. Bonds3

About 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide

2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide (PubChem CID 10800362) has the molecular formula C8H12Cl3NO and a molecular weight of 244.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide
PubChem CID10800362
Molecular FormulaC8H12Cl3NO
Molecular Weight244.55 g/mol
Exact Mass243.00
IUPAC Name2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide
SMILESCC/C(C)=C\CNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl3NO/c1-3-6(2)4-5-12-7(13)8(9,10)11/h4H,3,5H2,1-2H3,(H,12,13)/b6-4-
InChIKeyPJEPQGPLIMVRLH-XQRVVYSFSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide (CID 10800362) is 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide is CC/C(C)=C\CNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide?
The InChIKey is PJEPQGPLIMVRLH-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12Cl3NO/c1-3-6(2)4-5-12-7(13)8(9,10)11/h4H,3,5H2,1-2H3,(H,12,13)/b6-4-.
What are the key properties of 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide?
2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide has a molecular weight of 244.55 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(Z)-3-methylpent-2-enyl]acetamide is sourced from PubChem (CID 10800362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).