1-(3-ethylcyclobuten-1-yl)ethanone

C8H12O — CID 130027343

IUPAC1-(3-ethylcyclobuten-1-yl)ethanone
SMILESCCC1C=C(C(C)=O)C1
InChIInChI=1S/C8H12O/c1-3-7-4-8(5-7)6(2)9/h4,7H,3,5H2,1-2H3
InChIKeyJEROVUMMLYOFMG-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds2

About 1-(3-ethylcyclobuten-1-yl)ethanone

1-(3-ethylcyclobuten-1-yl)ethanone (PubChem CID 130027343) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(3-ethylcyclobuten-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylcyclobuten-1-yl)ethanone
PubChem CID130027343
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(3-ethylcyclobuten-1-yl)ethanone
SMILESCCC1C=C(C(C)=O)C1
InChIInChI=1S/C8H12O/c1-3-7-4-8(5-7)6(2)9/h4,7H,3,5H2,1-2H3
InChIKeyJEROVUMMLYOFMG-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
CID 118422918
(3S)-3-ethylcyclohexene-1-carboxylic acid
CID 159993912
3-ethyl-1-prop-1-en-2-ylcyclopentene
CID 90736766
1-[(3S,5R)-4-cyclopentyl-3-cyclopropyl-5-ethoxycyclohexen-1-yl]ethanone
CID 118018488
1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
1-(4-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)ethanone
CID 142224462
1-(3,5-diiodocyclohexa-1,3-dien-1-yl)ethanone
CID 89166052
methyl 5-acetyloxy-3-ethylcyclohex-3-ene-1-carboxylate
CID 71348965
methyl (1S,5S)-5-acetyloxy-3-ethylcyclohex-3-ene-1-carboxylate
CID 11770157
(1R,3R)-3-ethyl-5-methoxycarbonylcyclohept-4-ene-1-carboxylic acid
CID 10537228
ethane;1-(4-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)ethanone
CID 142224461
ethyl 4-acetyl-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 54763129

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobuten-1-yl)ethanone?
The IUPAC name of 1-(3-ethylcyclobuten-1-yl)ethanone (CID 130027343) is 1-(3-ethylcyclobuten-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethylcyclobuten-1-yl)ethanone?
The canonical SMILES for 1-(3-ethylcyclobuten-1-yl)ethanone is CCC1C=C(C(C)=O)C1.
What is the InChIKey of 1-(3-ethylcyclobuten-1-yl)ethanone?
The InChIKey is JEROVUMMLYOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-7-4-8(5-7)6(2)9/h4,7H,3,5H2,1-2H3.
What are the key properties of 1-(3-ethylcyclobuten-1-yl)ethanone?
1-(3-ethylcyclobuten-1-yl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobuten-1-yl)ethanone is sourced from PubChem (CID 130027343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).