2-but-3-en-2-yloxycyclopentan-1-one

C9H14O2 — CID 22572288

IUPAC2-but-3-en-2-yloxycyclopentan-1-one
SMILESC=CC(C)OC1CCCC1=O
InChIInChI=1S/C9H14O2/c1-3-7(2)11-9-6-4-5-8(9)10/h3,7,9H,1,4-6H2,2H3
InChIKeyNEVKGJCFDMZNST-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About 2-but-3-en-2-yloxycyclopentan-1-one

2-but-3-en-2-yloxycyclopentan-1-one (PubChem CID 22572288) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-but-3-en-2-yloxycyclopentan-1-one.

Molecular Properties

Compound Name2-but-3-en-2-yloxycyclopentan-1-one
PubChem CID22572288
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-but-3-en-2-yloxycyclopentan-1-one
SMILESC=CC(C)OC1CCCC1=O
InChIInChI=1S/C9H14O2/c1-3-7(2)11-9-6-4-5-8(9)10/h3,7,9H,1,4-6H2,2H3
InChIKeyNEVKGJCFDMZNST-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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

(2S)-2-[(2R)-but-3-en-2-yl]cyclopentan-1-one
CID 134840433
(2-oxocyclopentyl) 2-methylpropanoate
CID 118886288
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-but-2-ynoxycyclopentan-1-one
CID 46901141
2-(2-hydroxypropyl)cyclopentan-1-one
CID 79429477
2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one
CID 173162094
2-(1-bromoethyl)cyclopentan-1-one
CID 174906368
2-(3-methylbutylsulfonyl)cyclopentan-1-one
CID 107767951
4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 139668969
2-(3-methylbutan-2-ylsulfonyl)cyclopentan-1-one
CID 107767571
(2R)-2-propoxycyclohexan-1-one
CID 130629203
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxycyclopentan-1-one?
The IUPAC name of 2-but-3-en-2-yloxycyclopentan-1-one (CID 22572288) is 2-but-3-en-2-yloxycyclopentan-1-one.
What is the SMILES notation for 2-but-3-en-2-yloxycyclopentan-1-one?
The canonical SMILES for 2-but-3-en-2-yloxycyclopentan-1-one is C=CC(C)OC1CCCC1=O.
What is the InChIKey of 2-but-3-en-2-yloxycyclopentan-1-one?
The InChIKey is NEVKGJCFDMZNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7(2)11-9-6-4-5-8(9)10/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 2-but-3-en-2-yloxycyclopentan-1-one?
2-but-3-en-2-yloxycyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxycyclopentan-1-one is sourced from PubChem (CID 22572288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).