2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one

C8H8O2 — CID 74062565

IUPAC2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one
SMILESC=CC1=C(O)C(=CC)C1=O
InChIInChI=1S/C8H8O2/c1-3-5-7(9)6(4-2)8(5)10/h3-4,9H,1H2,2H3
InChIKeyUNLISOYFWAFYCD-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.51
Rot. Bonds1

About 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one

2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one (PubChem CID 74062565) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one
PubChem CID74062565
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one
SMILESC=CC1=C(O)C(=CC)C1=O
InChIInChI=1S/C8H8O2/c1-3-5-7(9)6(4-2)8(5)10/h3-4,9H,1H2,2H3
InChIKeyUNLISOYFWAFYCD-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one?
The IUPAC name of 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one (CID 74062565) is 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one?
The canonical SMILES for 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one is C=CC1=C(O)C(=CC)C1=O.
What is the InChIKey of 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one?
The InChIKey is UNLISOYFWAFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-3-5-7(9)6(4-2)8(5)10/h3-4,9H,1H2,2H3.
What are the key properties of 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one?
2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one has a molecular weight of 136.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethylidene-3-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 74062565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).