5-ethyl-2,3-dimethylcyclopent-2-en-1-one

C9H14O — CID 45140128

IUPAC5-ethyl-2,3-dimethylcyclopent-2-en-1-one
SMILESCCC1CC(C)=C(C)C1=O
InChIInChI=1S/C9H14O/c1-4-8-5-6(2)7(3)9(8)10/h8H,4-5H2,1-3H3
InChIKeyZJYOILLIITYIGP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds1

About 5-ethyl-2,3-dimethylcyclopent-2-en-1-one

5-ethyl-2,3-dimethylcyclopent-2-en-1-one (PubChem CID 45140128) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylcyclopent-2-en-1-one
PubChem CID45140128
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-ethyl-2,3-dimethylcyclopent-2-en-1-one
SMILESCCC1CC(C)=C(C)C1=O
InChIInChI=1S/C9H14O/c1-4-8-5-6(2)7(3)9(8)10/h8H,4-5H2,1-3H3
InChIKeyZJYOILLIITYIGP-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
CID 534047
5-tert-butyl-2,3-dimethylcyclopent-2-en-1-one
CID 131997974
5-[(dimethylamino)methyl]-2-hydroxy-3-methylcyclopent-2-en-1-one
CID 14643347
5-bromo-2-ethyl-7-methyl-2,3-dihydroinden-1-one
CID 68947911
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
methyl 2-(2-methyl-5-oxo-4-propylcyclopenten-1-yl)acetate
CID 10608515
5-tert-butyl-3-ethylcyclohexane-1,2-dione
CID 146741917
2,3-dimethyl-5-(2-methylpropyl)cyclohex-2-en-1-one
CID 130318500
2-ethylcyclobutan-1-one
CID 534566
2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane
CID 162015445
2,3,5-trimethylcyclohept-2-en-1-one
CID 142093002
trans-(2R,5S)-2-ethyl-5-methylcyclohexan-1-one
CID 99647050

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylcyclopent-2-en-1-one?
The IUPAC name of 5-ethyl-2,3-dimethylcyclopent-2-en-1-one (CID 45140128) is 5-ethyl-2,3-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 5-ethyl-2,3-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 5-ethyl-2,3-dimethylcyclopent-2-en-1-one is CCC1CC(C)=C(C)C1=O.
What is the InChIKey of 5-ethyl-2,3-dimethylcyclopent-2-en-1-one?
The InChIKey is ZJYOILLIITYIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-8-5-6(2)7(3)9(8)10/h8H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethylcyclopent-2-en-1-one?
5-ethyl-2,3-dimethylcyclopent-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 45140128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).