N-(2-oxohex-5-yn-3-yl)acetamide

C8H11NO2 — CID 123414994

IUPACN-(2-oxohex-5-yn-3-yl)acetamide
SMILESC#CCC(NC(C)=O)C(C)=O
InChIInChI=1S/C8H11NO2/c1-4-5-8(6(2)10)9-7(3)11/h1,8H,5H2,2-3H3,(H,9,11)
InChIKeyKSDQTQWWOOFKIS-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.10
Rot. Bonds3

About N-(2-oxohex-5-yn-3-yl)acetamide

N-(2-oxohex-5-yn-3-yl)acetamide (PubChem CID 123414994) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(2-oxohex-5-yn-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxohex-5-yn-3-yl)acetamide
PubChem CID123414994
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-(2-oxohex-5-yn-3-yl)acetamide
SMILESC#CCC(NC(C)=O)C(C)=O
InChIInChI=1S/C8H11NO2/c1-4-5-8(6(2)10)9-7(3)11/h1,8H,5H2,2-3H3,(H,9,11)
InChIKeyKSDQTQWWOOFKIS-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxohex-5-yn-3-yl)acetamide?
The IUPAC name of N-(2-oxohex-5-yn-3-yl)acetamide (CID 123414994) is N-(2-oxohex-5-yn-3-yl)acetamide.
What is the SMILES notation for N-(2-oxohex-5-yn-3-yl)acetamide?
The canonical SMILES for N-(2-oxohex-5-yn-3-yl)acetamide is C#CCC(NC(C)=O)C(C)=O.
What is the InChIKey of N-(2-oxohex-5-yn-3-yl)acetamide?
The InChIKey is KSDQTQWWOOFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-5-8(6(2)10)9-7(3)11/h1,8H,5H2,2-3H3,(H,9,11).
What are the key properties of N-(2-oxohex-5-yn-3-yl)acetamide?
N-(2-oxohex-5-yn-3-yl)acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxohex-5-yn-3-yl)acetamide is sourced from PubChem (CID 123414994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).