4-ethyl-2-methylcyclopenta-2,3-dien-1-one

C8H10O — CID 123602954

IUPAC4-ethyl-2-methylcyclopenta-2,3-dien-1-one
SMILESCCC1=C=C(C)C(=O)C1
InChIInChI=1S/C8H10O/c1-3-7-4-6(2)8(9)5-7/h3,5H2,1-2H3
InChIKeyVXRWZINRDVVAPF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.84
Rot. Bonds1

About 4-ethyl-2-methylcyclopenta-2,3-dien-1-one

4-ethyl-2-methylcyclopenta-2,3-dien-1-one (PubChem CID 123602954) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-ethyl-2-methylcyclopenta-2,3-dien-1-one.

Molecular Properties

Compound Name4-ethyl-2-methylcyclopenta-2,3-dien-1-one
PubChem CID123602954
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name4-ethyl-2-methylcyclopenta-2,3-dien-1-one
SMILESCCC1=C=C(C)C(=O)C1
InChIInChI=1S/C8H10O/c1-3-7-4-6(2)8(9)5-7/h3,5H2,1-2H3
InChIKeyVXRWZINRDVVAPF-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-ethoxy-2-ethylcyclobut-2-en-1-one
CID 130029399
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1-[2-(2-ethoxyethyl)-3-methylidenecyclopropyl]-3-ethylcyclobuta-1,2-diene
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylcyclopenta-2,3-dien-1-one?
The IUPAC name of 4-ethyl-2-methylcyclopenta-2,3-dien-1-one (CID 123602954) is 4-ethyl-2-methylcyclopenta-2,3-dien-1-one.
What is the SMILES notation for 4-ethyl-2-methylcyclopenta-2,3-dien-1-one?
The canonical SMILES for 4-ethyl-2-methylcyclopenta-2,3-dien-1-one is CCC1=C=C(C)C(=O)C1.
What is the InChIKey of 4-ethyl-2-methylcyclopenta-2,3-dien-1-one?
The InChIKey is VXRWZINRDVVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-3-7-4-6(2)8(9)5-7/h3,5H2,1-2H3.
What are the key properties of 4-ethyl-2-methylcyclopenta-2,3-dien-1-one?
4-ethyl-2-methylcyclopenta-2,3-dien-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylcyclopenta-2,3-dien-1-one is sourced from PubChem (CID 123602954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).