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

C8H10O — CID 11988999

IUPAC3-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=CC(=O)CC1
InChIInChI=1S/C8H10O/c1-2-3-7-4-5-8(9)6-7/h2,6H,1,3-5H2
InChIKeyZPIVSQMQBDKUCB-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.85
Rot. Bonds2

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

3-prop-2-enylcyclopent-2-en-1-one (PubChem CID 11988999) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-prop-2-enylcyclopent-2-en-1-one
PubChem CID11988999
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=CC(=O)CC1
InChIInChI=1S/C8H10O/c1-2-3-7-4-5-8(9)6-7/h2,6H,1,3-5H2
InChIKeyZPIVSQMQBDKUCB-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 3-prop-2-enylcyclopent-2-en-1-one (CID 11988999) is 3-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 3-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 3-prop-2-enylcyclopent-2-en-1-one is C=CCC1=CC(=O)CC1.
What is the InChIKey of 3-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is ZPIVSQMQBDKUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-3-7-4-5-8(9)6-7/h2,6H,1,3-5H2.
What are the key properties of 3-prop-2-enylcyclopent-2-en-1-one?
3-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 11988999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).