2-methylidenebut-3-yn-1-ol

C5H6O — CID 3019670

IUPAC2-methylidenebut-3-yn-1-ol
SMILESC#CC(=C)CO
InChIInChI=1S/C5H6O/c1-3-5(2)4-6/h1,6H,2,4H2
InChIKeyYRYSPWUYQBDGOD-UHFFFAOYSA-N
MW82.10 g/mol
LogP0.17
Rot. Bonds1

About 2-methylidenebut-3-yn-1-ol

2-methylidenebut-3-yn-1-ol (PubChem CID 3019670) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is 2-methylidenebut-3-yn-1-ol.

Molecular Properties

Compound Name2-methylidenebut-3-yn-1-ol
PubChem CID3019670
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Name2-methylidenebut-3-yn-1-ol
SMILESC#CC(=C)CO
InChIInChI=1S/C5H6O/c1-3-5(2)4-6/h1,6H,2,4H2
InChIKeyYRYSPWUYQBDGOD-UHFFFAOYSA-N
XLogP0.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methylidenebut-3-yn-1-ol?
The IUPAC name of 2-methylidenebut-3-yn-1-ol (CID 3019670) is 2-methylidenebut-3-yn-1-ol.
What is the SMILES notation for 2-methylidenebut-3-yn-1-ol?
The canonical SMILES for 2-methylidenebut-3-yn-1-ol is C#CC(=C)CO.
What is the InChIKey of 2-methylidenebut-3-yn-1-ol?
The InChIKey is YRYSPWUYQBDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O/c1-3-5(2)4-6/h1,6H,2,4H2.
What are the key properties of 2-methylidenebut-3-yn-1-ol?
2-methylidenebut-3-yn-1-ol has a molecular weight of 82.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebut-3-yn-1-ol is sourced from PubChem (CID 3019670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).