3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one

C8H10O2 — CID 68947960

IUPAC3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(O)CCC1=O
InChIInChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,9H,1,3-5H2
InChIKeyNPIJYJXAFQVRDY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.74
Rot. Bonds2

About 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one

3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 68947960) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID68947960
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(O)CCC1=O
InChIInChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,9H,1,3-5H2
InChIKeyNPIJYJXAFQVRDY-UHFFFAOYSA-N
XLogP1.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one (CID 68947960) is 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C(O)CCC1=O.
What is the InChIKey of 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is NPIJYJXAFQVRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,9H,1,3-5H2.
What are the key properties of 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one?
3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 68947960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).