2,3-diethylcyclopent-2-en-1-one

C9H14O — CID 11159358

IUPAC2,3-diethylcyclopent-2-en-1-one
SMILESCCC1=C(CC)C(=O)CC1
InChIInChI=1S/C9H14O/c1-3-7-5-6-9(10)8(7)4-2/h3-6H2,1-2H3
InChIKeyFLCXXADDHWEBSV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.47
Rot. Bonds2

About 2,3-diethylcyclopent-2-en-1-one

2,3-diethylcyclopent-2-en-1-one (PubChem CID 11159358) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3-diethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-diethylcyclopent-2-en-1-one
PubChem CID11159358
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2,3-diethylcyclopent-2-en-1-one
SMILESCCC1=C(CC)C(=O)CC1
InChIInChI=1S/C9H14O/c1-3-7-5-6-9(10)8(7)4-2/h3-6H2,1-2H3
InChIKeyFLCXXADDHWEBSV-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethylcyclopent-2-en-1-one?
The IUPAC name of 2,3-diethylcyclopent-2-en-1-one (CID 11159358) is 2,3-diethylcyclopent-2-en-1-one.
What is the SMILES notation for 2,3-diethylcyclopent-2-en-1-one?
The canonical SMILES for 2,3-diethylcyclopent-2-en-1-one is CCC1=C(CC)C(=O)CC1.
What is the InChIKey of 2,3-diethylcyclopent-2-en-1-one?
The InChIKey is FLCXXADDHWEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-7-5-6-9(10)8(7)4-2/h3-6H2,1-2H3.
What are the key properties of 2,3-diethylcyclopent-2-en-1-one?
2,3-diethylcyclopent-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylcyclopent-2-en-1-one is sourced from PubChem (CID 11159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).