4-oxohept-6-ynamide

C7H9NO2 — CID 158101819

IUPAC4-oxohept-6-ynamide
SMILESC#CCC(=O)CCC(N)=O
InChIInChI=1S/C7H9NO2/c1-2-3-6(9)4-5-7(8)10/h1H,3-5H2,(H2,8,10)
InChIKeyFPIWMIIVCPUOFO-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.16
Rot. Bonds4

About 4-oxohept-6-ynamide

4-oxohept-6-ynamide (PubChem CID 158101819) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-oxohept-6-ynamide.

Molecular Properties

Compound Name4-oxohept-6-ynamide
PubChem CID158101819
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-oxohept-6-ynamide
SMILESC#CCC(=O)CCC(N)=O
InChIInChI=1S/C7H9NO2/c1-2-3-6(9)4-5-7(8)10/h1H,3-5H2,(H2,8,10)
InChIKeyFPIWMIIVCPUOFO-UHFFFAOYSA-N
XLogP-0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-aminophenyl)hex-5-yn-3-one
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Frequently Asked Questions

What is the IUPAC name of 4-oxohept-6-ynamide?
The IUPAC name of 4-oxohept-6-ynamide (CID 158101819) is 4-oxohept-6-ynamide.
What is the SMILES notation for 4-oxohept-6-ynamide?
The canonical SMILES for 4-oxohept-6-ynamide is C#CCC(=O)CCC(N)=O.
What is the InChIKey of 4-oxohept-6-ynamide?
The InChIKey is FPIWMIIVCPUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-6(9)4-5-7(8)10/h1H,3-5H2,(H2,8,10).
What are the key properties of 4-oxohept-6-ynamide?
4-oxohept-6-ynamide has a molecular weight of 139.15 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxohept-6-ynamide is sourced from PubChem (CID 158101819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).