prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate

C14H20O3 — CID 54103768

IUPACprop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate
SMILESC=CCOC(=O)C1(CC=CCC)CCCC1=O
InChIInChI=1S/C14H20O3/c1-3-5-6-9-14(10-7-8-12(14)15)13(16)17-11-4-2/h4-6H,2-3,7-11H2,1H3
InChIKeyNCHVXPZFVXZZEG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.81
Rot. Bonds6

About prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate

prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate (PubChem CID 54103768) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate
PubChem CID54103768
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameprop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate
SMILESC=CCOC(=O)C1(CC=CCC)CCCC1=O
InChIInChI=1S/C14H20O3/c1-3-5-6-9-14(10-7-8-12(14)15)13(16)17-11-4-2/h4-6H,2-3,7-11H2,1H3
InChIKeyNCHVXPZFVXZZEG-UHFFFAOYSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[(Z)-4-bromobut-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 5470122
Methyl 1-allyl-2-oxocyclopentane-1-carboxylate
CID 10081040
2-Carbethoxy-2-allylcyclopentanone
CID 10910452
ethyl 1-[(E)-hept-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 14168350
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061
Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, 2-propenyl ester
CID 11535679
ethyl (1R)-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 12320191
Prop-2-en-1-yl 2-oxo-1-pentylcyclopentane-1-carboxylate
CID 13005779
2-(2-Acetoxyethyl)-2-(2-propenyloxycarbonyl)cyclopentanone
CID 23074582
Ethyl 1-hex-2-enyl-2-oxocyclopentane-1-carboxylate
CID 134855551
Ethyl 4-cyclopent-3-en-1-yl-3-oxobutanoate
CID 135037921
Ethyl 1-(4-chloro-2-butenyl)-2-oxocyclopentanecarboxylate
CID 5470126

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate?
The IUPAC name of prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate (CID 54103768) is prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate is C=CCOC(=O)C1(CC=CCC)CCCC1=O.
What is the InChIKey of prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate?
The InChIKey is NCHVXPZFVXZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-5-6-9-14(10-7-8-12(14)15)13(16)17-11-4-2/h4-6H,2-3,7-11H2,1H3.
What are the key properties of prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate?
prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate is sourced from PubChem (CID 54103768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).