2-prop-2-enylcyclopentane-1,3-dione

C8H10O2 — CID 12917216

IUPAC2-prop-2-enylcyclopentane-1,3-dione
SMILESC=CCC1C(=O)CCC1=O
InChIInChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,6H,1,3-5H2
InChIKeyDMZQFYFIHVSEBA-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds2

About 2-prop-2-enylcyclopentane-1,3-dione

2-prop-2-enylcyclopentane-1,3-dione (PubChem CID 12917216) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-prop-2-enylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2-prop-2-enylcyclopentane-1,3-dione
PubChem CID12917216
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-prop-2-enylcyclopentane-1,3-dione
SMILESC=CCC1C(=O)CCC1=O
InChIInChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,6H,1,3-5H2
InChIKeyDMZQFYFIHVSEBA-UHFFFAOYSA-N
XLogP1.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclopentane-1,3-dione?
The IUPAC name of 2-prop-2-enylcyclopentane-1,3-dione (CID 12917216) is 2-prop-2-enylcyclopentane-1,3-dione.
What is the SMILES notation for 2-prop-2-enylcyclopentane-1,3-dione?
The canonical SMILES for 2-prop-2-enylcyclopentane-1,3-dione is C=CCC1C(=O)CCC1=O.
What is the InChIKey of 2-prop-2-enylcyclopentane-1,3-dione?
The InChIKey is DMZQFYFIHVSEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,6H,1,3-5H2.
What are the key properties of 2-prop-2-enylcyclopentane-1,3-dione?
2-prop-2-enylcyclopentane-1,3-dione has a molecular weight of 138.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclopentane-1,3-dione is sourced from PubChem (CID 12917216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).