3-ethyl-2-methylcyclopent-2-en-1-one

C8H12O — CID 13119715

IUPAC3-ethyl-2-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)C(=O)CC1
InChIInChI=1S/C8H12O/c1-3-7-4-5-8(9)6(7)2/h3-5H2,1-2H3
InChIKeyZDWYQVBGIKBGDA-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds1

About 3-ethyl-2-methylcyclopent-2-en-1-one

3-ethyl-2-methylcyclopent-2-en-1-one (PubChem CID 13119715) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-ethyl-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-2-methylcyclopent-2-en-1-one
PubChem CID13119715
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-ethyl-2-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)C(=O)CC1
InChIInChI=1S/C8H12O/c1-3-7-4-5-8(9)6(7)2/h3-5H2,1-2H3
InChIKeyZDWYQVBGIKBGDA-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-ethyl-2-methylcyclopent-2-en-1-one (CID 13119715) is 3-ethyl-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-ethyl-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-ethyl-2-methylcyclopent-2-en-1-one is CCC1=C(C)C(=O)CC1.
What is the InChIKey of 3-ethyl-2-methylcyclopent-2-en-1-one?
The InChIKey is ZDWYQVBGIKBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-7-4-5-8(9)6(7)2/h3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methylcyclopent-2-en-1-one?
3-ethyl-2-methylcyclopent-2-en-1-one has a molecular weight of 124.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 13119715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).