2-prop-2-ynylpent-4-enamide

C8H11NO — CID 173278593

IUPAC2-prop-2-ynylpent-4-enamide
SMILESC#CCC(CC=C)C(N)=O
InChIInChI=1S/C8H11NO/c1-3-5-7(6-4-2)8(9)10/h1,4,7H,2,5-6H2,(H2,9,10)
InChIKeyXLJJJGJGROYUAY-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.69
Rot. Bonds4

About 2-prop-2-ynylpent-4-enamide

2-prop-2-ynylpent-4-enamide (PubChem CID 173278593) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-prop-2-ynylpent-4-enamide.

Molecular Properties

Compound Name2-prop-2-ynylpent-4-enamide
PubChem CID173278593
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-prop-2-ynylpent-4-enamide
SMILESC#CCC(CC=C)C(N)=O
InChIInChI=1S/C8H11NO/c1-3-5-7(6-4-2)8(9)10/h1,4,7H,2,5-6H2,(H2,9,10)
InChIKeyXLJJJGJGROYUAY-UHFFFAOYSA-N
XLogP0.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(prop-2-enyl)hexanediamide
CID 121007809
fluoro 2-(fluoromethyl)pent-4-enoate
CID 174381928
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
pent-4-en-2-ol;urea
CID 88650571
(3E)-5-ethylocta-1,3,7-trien-4-amine
CID 134331827
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
(4S)-oct-1-en-7-yn-4-ol
CID 101065772
3-ethylhex-5-en-2-one
CID 58995117
2-(chloromethyl)pent-4-ynoic acid
CID 175138142
bis(2-prop-2-ynylpent-4-ynyl) carbonate
CID 90390376
(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enamide
CID 125467212

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylpent-4-enamide?
The IUPAC name of 2-prop-2-ynylpent-4-enamide (CID 173278593) is 2-prop-2-ynylpent-4-enamide.
What is the SMILES notation for 2-prop-2-ynylpent-4-enamide?
The canonical SMILES for 2-prop-2-ynylpent-4-enamide is C#CCC(CC=C)C(N)=O.
What is the InChIKey of 2-prop-2-ynylpent-4-enamide?
The InChIKey is XLJJJGJGROYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-7(6-4-2)8(9)10/h1,4,7H,2,5-6H2,(H2,9,10).
What are the key properties of 2-prop-2-ynylpent-4-enamide?
2-prop-2-ynylpent-4-enamide has a molecular weight of 137.18 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylpent-4-enamide is sourced from PubChem (CID 173278593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).