3-(1-hydroxyethyl)-2-methylpent-4-ynamide

C8H13NO2 — CID 86180547

IUPAC3-(1-hydroxyethyl)-2-methylpent-4-ynamide
SMILESC#CC(C(C)O)C(C)C(N)=O
InChIInChI=1S/C8H13NO2/c1-4-7(6(3)10)5(2)8(9)11/h1,5-7,10H,2-3H3,(H2,9,11)
InChIKeyDWGLLSOLYVVIJL-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.26
Rot. Bonds3

About 3-(1-hydroxyethyl)-2-methylpent-4-ynamide

3-(1-hydroxyethyl)-2-methylpent-4-ynamide (PubChem CID 86180547) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-2-methylpent-4-ynamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-2-methylpent-4-ynamide
PubChem CID86180547
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(1-hydroxyethyl)-2-methylpent-4-ynamide
SMILESC#CC(C(C)O)C(C)C(N)=O
InChIInChI=1S/C8H13NO2/c1-4-7(6(3)10)5(2)8(9)11/h1,5-7,10H,2-3H3,(H2,9,11)
InChIKeyDWGLLSOLYVVIJL-UHFFFAOYSA-N
XLogP-0.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
2,3-dimethylbutanediamide
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(2R)-2-methyl-3-sulfanylbutanamide
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2-methyl-3-sulfanylbutanamide
CID 87275807
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
acetic acid;but-3-yn-2-ol
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dimethylphosphane;2-hydroxypropanamide
CID 174842276
3-hydroxy-2-iodobutanamide
CID 163523876
2-fluoro-3-hydroxybutanamide
CID 152681723
carbamic acid;ethane-1,1-diol
CID 175516501
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
(5S)-4,5-dimethylocta-1,7-diyne-3,6-dione
CID 159702482

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-2-methylpent-4-ynamide?
The IUPAC name of 3-(1-hydroxyethyl)-2-methylpent-4-ynamide (CID 86180547) is 3-(1-hydroxyethyl)-2-methylpent-4-ynamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-2-methylpent-4-ynamide?
The canonical SMILES for 3-(1-hydroxyethyl)-2-methylpent-4-ynamide is C#CC(C(C)O)C(C)C(N)=O.
What is the InChIKey of 3-(1-hydroxyethyl)-2-methylpent-4-ynamide?
The InChIKey is DWGLLSOLYVVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7(6(3)10)5(2)8(9)11/h1,5-7,10H,2-3H3,(H2,9,11).
What are the key properties of 3-(1-hydroxyethyl)-2-methylpent-4-ynamide?
3-(1-hydroxyethyl)-2-methylpent-4-ynamide has a molecular weight of 155.20 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-2-methylpent-4-ynamide is sourced from PubChem (CID 86180547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).