2-ethenylcyclopentan-1-one

C7H10O — CID 12615526

IUPAC2-ethenylcyclopentan-1-one
SMILESC=CC1CCCC1=O
InChIInChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h2,6H,1,3-5H2
InChIKeyUIYWYSHWDVOBKD-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds1

About 2-ethenylcyclopentan-1-one

2-ethenylcyclopentan-1-one (PubChem CID 12615526) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethenylcyclopentan-1-one.

Molecular Properties

Compound Name2-ethenylcyclopentan-1-one
PubChem CID12615526
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-ethenylcyclopentan-1-one
SMILESC=CC1CCCC1=O
InChIInChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h2,6H,1,3-5H2
InChIKeyUIYWYSHWDVOBKD-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethenylcyclohexan-1-one
CID 557300
rac-(1R,4R)-bicyclo[2.2.1]hept-5-en-2-one
CID 11040646
Bicyclo(2.2.1)hept-5-en-2-one
CID 136511
Bicyclo[2.2.1]hept-2-en-7-one
CID 136507
Ethanone, 1-(3-methylenecyclopentyl)-
CID 556899
Bicyclo[2.2.1]hept-5-en-2-one, (1R,4R)-
CID 637909
Cyclopentanone, 2-(3-butenyl)-
CID 10011967
3-Allylcyclopentanone
CID 10419173
2-Allylcyclopentanone
CID 10920511
2-Hex-5-enylcyclopentan-1-one
CID 13285062
3-(3-Butenyl)cyclopentanone
CID 13045271
6-Hepten-2-one, 4-methyl-
CID 10419191

Frequently Asked Questions

What is the IUPAC name of 2-ethenylcyclopentan-1-one?
The IUPAC name of 2-ethenylcyclopentan-1-one (CID 12615526) is 2-ethenylcyclopentan-1-one.
What is the SMILES notation for 2-ethenylcyclopentan-1-one?
The canonical SMILES for 2-ethenylcyclopentan-1-one is C=CC1CCCC1=O.
What is the InChIKey of 2-ethenylcyclopentan-1-one?
The InChIKey is UIYWYSHWDVOBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h2,6H,1,3-5H2.
What are the key properties of 2-ethenylcyclopentan-1-one?
2-ethenylcyclopentan-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclopentan-1-one is sourced from PubChem (CID 12615526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).