2,2-dichloropent-4-ynamide

C5H5Cl2NO — CID 91210265

IUPAC2,2-dichloropent-4-ynamide
SMILESC#CCC(Cl)(Cl)C(N)=O
InChIInChI=1S/C5H5Cl2NO/c1-2-3-5(6,7)4(8)9/h1H,3H2,(H2,8,9)
InChIKeyJATCVRRWJGBWKU-UHFFFAOYSA-N
MW166.01 g/mol
LogP0.67
Rot. Bonds2

About 2,2-dichloropent-4-ynamide

2,2-dichloropent-4-ynamide (PubChem CID 91210265) has the molecular formula C5H5Cl2NO and a molecular weight of 166.01 g/mol. Its IUPAC name is 2,2-dichloropent-4-ynamide.

Molecular Properties

Compound Name2,2-dichloropent-4-ynamide
PubChem CID91210265
Molecular FormulaC5H5Cl2NO
Molecular Weight166.01 g/mol
Exact Mass164.97
IUPAC Name2,2-dichloropent-4-ynamide
SMILESC#CCC(Cl)(Cl)C(N)=O
InChIInChI=1S/C5H5Cl2NO/c1-2-3-5(6,7)4(8)9/h1H,3H2,(H2,8,9)
InChIKeyJATCVRRWJGBWKU-UHFFFAOYSA-N
XLogP0.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dichlorobutanamide
CID 347681
2-Chloropent-4-ynamide
CID 57213784

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloropent-4-ynamide?
The IUPAC name of 2,2-dichloropent-4-ynamide (CID 91210265) is 2,2-dichloropent-4-ynamide.
What is the SMILES notation for 2,2-dichloropent-4-ynamide?
The canonical SMILES for 2,2-dichloropent-4-ynamide is C#CCC(Cl)(Cl)C(N)=O.
What is the InChIKey of 2,2-dichloropent-4-ynamide?
The InChIKey is JATCVRRWJGBWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NO/c1-2-3-5(6,7)4(8)9/h1H,3H2,(H2,8,9).
What are the key properties of 2,2-dichloropent-4-ynamide?
2,2-dichloropent-4-ynamide has a molecular weight of 166.01 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloropent-4-ynamide is sourced from PubChem (CID 91210265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).