2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one

C14H20O2 — CID 166722235

IUPAC2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
SMILESO=C1CCCC1C/C=C/CC1CCCC1=O
InChIInChI=1S/C14H20O2/c15-13-9-3-7-11(13)5-1-2-6-12-8-4-10-14(12)16/h1-2,11-12H,3-10H2/b2-1+
InChIKeyAKIZVSYCSQWJKX-OWOJBTEDSA-N
MW220.31 g/mol
LogP3.06
Rot. Bonds4

About 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one

2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one (PubChem CID 166722235) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
PubChem CID166722235
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
SMILESO=C1CCCC1C/C=C/CC1CCCC1=O
InChIInChI=1S/C14H20O2/c15-13-9-3-7-11(13)5-1-2-6-12-8-4-10-14(12)16/h1-2,11-12H,3-10H2/b2-1+
InChIKeyAKIZVSYCSQWJKX-OWOJBTEDSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-but-2-enyl]cyclopentan-1-one
CID 14959733
(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
2-but-2-enylcyclohexan-1-one
CID 54275877
CID 101002342
CID 101002342
(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
CID 129321670
(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 174922472
2-(4-hydroxypent-2-enyl)cyclohexan-1-one
CID 175419455
2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
CID 13218023
(2S)-2-(2-fluoroethyl)cyclopentan-1-one
CID 97052906
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-(2-bromoprop-2-enyl)cyclopentan-1-one
CID 102080148
2-(2-hydroxypropyl)cyclopentan-1-one
CID 79429477

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one?
The IUPAC name of 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one (CID 166722235) is 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one is O=C1CCCC1C/C=C/CC1CCCC1=O.
What is the InChIKey of 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one?
The InChIKey is AKIZVSYCSQWJKX-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-9-3-7-11(13)5-1-2-6-12-8-4-10-14(12)16/h1-2,11-12H,3-10H2/b2-1+.
What are the key properties of 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one?
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 166722235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).