2-ethynoxyprop-1-ene

C5H6O — CID 91353276

IUPAC2-ethynoxyprop-1-ene
SMILESC#COC(=C)C
InChIInChI=1S/C5H6O/c1-4-6-5(2)3/h1H,2H2,3H3
InChIKeyZWBNVJQOIQXNBH-UHFFFAOYSA-N
MW82.10 g/mol
LogP1.13
Rot. Bonds1

About 2-ethynoxyprop-1-ene

2-ethynoxyprop-1-ene (PubChem CID 91353276) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is 2-ethynoxyprop-1-ene.

Molecular Properties

Compound Name2-ethynoxyprop-1-ene
PubChem CID91353276
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Name2-ethynoxyprop-1-ene
SMILESC#COC(=C)C
InChIInChI=1S/C5H6O/c1-4-6-5(2)3/h1H,2H2,3H3
InChIKeyZWBNVJQOIQXNBH-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethynoxyprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-ynoxyprop-1-ene
CID 15853200
cyclohexane;ethynyl acetate
CID 67830514
3-ethynoxy-2-methylprop-1-ene
CID 173114152
3-methyl-3-prop-1-en-2-yloxybut-1-yne
CID 126711002
ethene;ethynyl hydrogen carbonate
CID 118039781
formonitrile;2-methylprop-2-enenitrile
CID 174326031
diethynyl 2-(2-oxopropyl)propanedioate
CID 130210063
ethynyl prop-2-ynoate
CID 57081493
butane;2-methylbut-1-en-3-yne
CID 145419919
2-methoxybut-1-en-3-yne
CID 11126175
CID 136836062
CID 136836062
fluoromethane;2-methoxyprop-1-ene
CID 143721713

Frequently Asked Questions

What is the IUPAC name of 2-ethynoxyprop-1-ene?
The IUPAC name of 2-ethynoxyprop-1-ene (CID 91353276) is 2-ethynoxyprop-1-ene.
What is the SMILES notation for 2-ethynoxyprop-1-ene?
The canonical SMILES for 2-ethynoxyprop-1-ene is C#COC(=C)C.
What is the InChIKey of 2-ethynoxyprop-1-ene?
The InChIKey is ZWBNVJQOIQXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O/c1-4-6-5(2)3/h1H,2H2,3H3.
What are the key properties of 2-ethynoxyprop-1-ene?
2-ethynoxyprop-1-ene has a molecular weight of 82.10 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynoxyprop-1-ene is sourced from PubChem (CID 91353276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).