oct-4-en-2-ynamide

C8H11NO — CID 76512187

IUPACoct-4-en-2-ynamide
SMILESCCCC=CC#CC(N)=O
InChIInChI=1S/C8H11NO/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyBSFALDPDRQICTI-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.83
Rot. Bonds2

About oct-4-en-2-ynamide

oct-4-en-2-ynamide (PubChem CID 76512187) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is oct-4-en-2-ynamide.

Molecular Properties

Compound Nameoct-4-en-2-ynamide
PubChem CID76512187
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Nameoct-4-en-2-ynamide
SMILESCCCC=CC#CC(N)=O
InChIInChI=1S/C8H11NO/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyBSFALDPDRQICTI-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Agrocybyne B
CID 57328825
(E)-oct-4-enamide
CID 11378544
Oct-4-enamide
CID 53432400
(3E)-oct-3-enamide
CID 6041748
(Z)-oct-3-enamide
CID 66563647
Oct-3-enamide
CID 4225217
Hept-3-enamide
CID 76223696
(Z,4R)-4-ethenyl-7-methylnon-6-en-2-ynamide
CID 89748761
Acetamide;cyclohexene
CID 157862127
(E)-hept-3-enamide
CID 55284854
(Z)-oct-4-enamide
CID 55285410
(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide
CID 143033510

Frequently Asked Questions

What is the IUPAC name of oct-4-en-2-ynamide?
The IUPAC name of oct-4-en-2-ynamide (CID 76512187) is oct-4-en-2-ynamide.
What is the SMILES notation for oct-4-en-2-ynamide?
The canonical SMILES for oct-4-en-2-ynamide is CCCC=CC#CC(N)=O.
What is the InChIKey of oct-4-en-2-ynamide?
The InChIKey is BSFALDPDRQICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3H2,1H3,(H2,9,10).
What are the key properties of oct-4-en-2-ynamide?
oct-4-en-2-ynamide has a molecular weight of 137.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-4-en-2-ynamide is sourced from PubChem (CID 76512187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).