2-chloropent-4-ynamide

C5H6ClNO — CID 57213784

IUPAC2-chloropent-4-ynamide
SMILESC#CCC(Cl)C(N)=O
InChIInChI=1S/C5H6ClNO/c1-2-3-4(6)5(7)8/h1,4H,3H2,(H2,7,8)
InChIKeyHEZCIBVMPPYWRH-UHFFFAOYSA-N
MW131.56 g/mol
LogP0.10
Rot. Bonds2

About 2-chloropent-4-ynamide

2-chloropent-4-ynamide (PubChem CID 57213784) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 2-chloropent-4-ynamide.

Molecular Properties

Compound Name2-chloropent-4-ynamide
PubChem CID57213784
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name2-chloropent-4-ynamide
SMILESC#CCC(Cl)C(N)=O
InChIInChI=1S/C5H6ClNO/c1-2-3-4(6)5(7)8/h1,4H,3H2,(H2,7,8)
InChIKeyHEZCIBVMPPYWRH-UHFFFAOYSA-N
XLogP0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of 2-chloropent-4-ynamide?
The IUPAC name of 2-chloropent-4-ynamide (CID 57213784) is 2-chloropent-4-ynamide.
What is the SMILES notation for 2-chloropent-4-ynamide?
The canonical SMILES for 2-chloropent-4-ynamide is C#CCC(Cl)C(N)=O.
What is the InChIKey of 2-chloropent-4-ynamide?
The InChIKey is HEZCIBVMPPYWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-2-3-4(6)5(7)8/h1,4H,3H2,(H2,7,8).
What are the key properties of 2-chloropent-4-ynamide?
2-chloropent-4-ynamide has a molecular weight of 131.56 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropent-4-ynamide is sourced from PubChem (CID 57213784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).