2-[(E)-2-phenylethenyl]cyclobutan-1-one

C12H12O — CID 131241395

IUPAC2-[(E)-2-phenylethenyl]cyclobutan-1-one
SMILESO=C1CCC1/C=C/c1ccccc1
InChIInChI=1S/C12H12O/c13-12-9-8-11(12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+
InChIKeyAJUCYQIWGDCHGI-VOTSOKGWSA-N
MW172.23 g/mol
LogP2.68
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]cyclobutan-1-one

2-[(E)-2-phenylethenyl]cyclobutan-1-one (PubChem CID 131241395) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]cyclobutan-1-one
PubChem CID131241395
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-[(E)-2-phenylethenyl]cyclobutan-1-one
SMILESO=C1CCC1/C=C/c1ccccc1
InChIInChI=1S/C12H12O/c13-12-9-8-11(12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+
InChIKeyAJUCYQIWGDCHGI-VOTSOKGWSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(1S,6S)-7-[(E)-2-phenylethenyl]bicyclo[4.1.0]heptan-2-one
CID 134853669
1-ethenyl-3-(2-phenylethenyl)pyrrolidin-2-one
CID 66766755
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one
CID 174636766
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
CID 10421779
pyrrolidine-2,5-dione;stilbene
CID 70488570
5-(2-phenylethenyl)-3a,4,5,6,7,7a-hexahydroindene-1,2,3-trione
CID 85435336
[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
CID 144592641
[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
CID 14358727

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]cyclobutan-1-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]cyclobutan-1-one (CID 131241395) is 2-[(E)-2-phenylethenyl]cyclobutan-1-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]cyclobutan-1-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]cyclobutan-1-one is O=C1CCC1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]cyclobutan-1-one?
The InChIKey is AJUCYQIWGDCHGI-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H12O/c13-12-9-8-11(12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]cyclobutan-1-one?
2-[(E)-2-phenylethenyl]cyclobutan-1-one has a molecular weight of 172.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]cyclobutan-1-one is sourced from PubChem (CID 131241395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).