but-3-en-2-one;ethene

C6H10O — CID 10219388

IUPACbut-3-en-2-one;ethene
SMILESC=C.C=CC(C)=O
InChIInChI=1S/C4H6O.C2H4/c1-3-4(2)5;1-2/h3H,1H2,2H3;1-2H2
InChIKeyDRKYBGIWEPKRHD-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.56
Rot. Bonds1

About but-3-en-2-one;ethene

but-3-en-2-one;ethene (PubChem CID 10219388) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is but-3-en-2-one;ethene.

Molecular Properties

Compound Namebut-3-en-2-one;ethene
PubChem CID10219388
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Namebut-3-en-2-one;ethene
SMILESC=C.C=CC(C)=O
InChIInChI=1S/C4H6O.C2H4/c1-3-4(2)5;1-2/h3H,1H2,2H3;1-2H2
InChIKeyDRKYBGIWEPKRHD-UHFFFAOYSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-one;ethene?
The IUPAC name of but-3-en-2-one;ethene (CID 10219388) is but-3-en-2-one;ethene.
What is the SMILES notation for but-3-en-2-one;ethene?
The canonical SMILES for but-3-en-2-one;ethene is C=C.C=CC(C)=O.
What is the InChIKey of but-3-en-2-one;ethene?
The InChIKey is DRKYBGIWEPKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C2H4/c1-3-4(2)5;1-2/h3H,1H2,2H3;1-2H2.
What are the key properties of but-3-en-2-one;ethene?
but-3-en-2-one;ethene has a molecular weight of 98.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-one;ethene is sourced from PubChem (CID 10219388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).