2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide

C9H15Cl2NO — CID 54159344

IUPAC2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide
SMILESCC=C(CC)N(CC)C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-4-7(5-2)12(6-3)9(13)8(10)11/h4,8H,5-6H2,1-3H3
InChIKeyONIAQTFJRDKPEE-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.95
Rot. Bonds4

About 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide

2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide (PubChem CID 54159344) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide
PubChem CID54159344
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide
SMILESCC=C(CC)N(CC)C(=O)C(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-4-7(5-2)12(6-3)9(13)8(10)11/h4,8H,5-6H2,1-3H3
InChIKeyONIAQTFJRDKPEE-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide (CID 54159344) is 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide is CC=C(CC)N(CC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide?
The InChIKey is ONIAQTFJRDKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-4-7(5-2)12(6-3)9(13)8(10)11/h4,8H,5-6H2,1-3H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide?
2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide has a molecular weight of 224.13 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N-pent-2-en-3-ylacetamide is sourced from PubChem (CID 54159344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).