2-iodo-N-prop-2-ynylacetamide

C5H6INO — CID 58992338

IUPAC2-iodo-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CI
InChIInChI=1S/C5H6INO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8)
InChIKeyCSMMHDBFJDWUDO-UHFFFAOYSA-N
MW223.01 g/mol
LogP0.17
Rot. Bonds2

About 2-iodo-N-prop-2-ynylacetamide

2-iodo-N-prop-2-ynylacetamide (PubChem CID 58992338) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 2-iodo-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-iodo-N-prop-2-ynylacetamide
PubChem CID58992338
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name2-iodo-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CI
InChIInChI=1S/C5H6INO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8)
InChIKeyCSMMHDBFJDWUDO-UHFFFAOYSA-N
XLogP0.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-prop-2-ynylacetamide?
The IUPAC name of 2-iodo-N-prop-2-ynylacetamide (CID 58992338) is 2-iodo-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-iodo-N-prop-2-ynylacetamide?
The canonical SMILES for 2-iodo-N-prop-2-ynylacetamide is C#CCNC(=O)CI.
What is the InChIKey of 2-iodo-N-prop-2-ynylacetamide?
The InChIKey is CSMMHDBFJDWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8).
What are the key properties of 2-iodo-N-prop-2-ynylacetamide?
2-iodo-N-prop-2-ynylacetamide has a molecular weight of 223.01 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-prop-2-ynylacetamide is sourced from PubChem (CID 58992338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).