ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate

C14H20O3 — CID 134848156

IUPACethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate
SMILESC=CCCC(=O)[C@@]1(C(=O)OCC)CCCC1=C
InChIInChI=1S/C14H20O3/c1-4-6-9-12(15)14(13(16)17-5-2)10-7-8-11(14)3/h4H,1,3,5-10H2,2H3/t14-/m1/s1
InChIKeyWOXREZJKKUYCMW-CQSZACIVSA-N
MW236.31 g/mol
LogP2.81
Rot. Bonds6

About ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate

ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate (PubChem CID 134848156) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate
PubChem CID134848156
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate
SMILESC=CCCC(=O)[C@@]1(C(=O)OCC)CCCC1=C
InChIInChI=1S/C14H20O3/c1-4-6-9-12(15)14(13(16)17-5-2)10-7-8-11(14)3/h4H,1,3,5-10H2,2H3/t14-/m1/s1
InChIKeyWOXREZJKKUYCMW-CQSZACIVSA-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 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
CID 300027
Methyl 1-allyl-2-oxocyclopentane-1-carboxylate
CID 10081040
2-Carbethoxy-2-allylcyclopentanone
CID 10910452
Ethyl (R)-1-Allyl-2-oxocyclohexanecarboxylate
CID 11106631
cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, diethyl ester
CID 11806372
ethyl 1-[(E)-hept-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 14168350
2-(2-Oxo-1-prop-2-enylcyclopentyl)ethyl acetate
CID 10013344
Diethyl allyl(3-methyl-3-butenyl)malonate
CID 10516051
1,1-Cyclopentanedicarboxylic acid, 3-methylene-, diethyl ester
CID 10889598
Methyl 1-acetyl-2-methylidenecyclopentane-1-carboxylate
CID 10943095
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate (CID 134848156) is ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate is C=CCCC(=O)[C@@]1(C(=O)OCC)CCCC1=C.
What is the InChIKey of ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate?
The InChIKey is WOXREZJKKUYCMW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-6-9-12(15)14(13(16)17-5-2)10-7-8-11(14)3/h4H,1,3,5-10H2,2H3/t14-/m1/s1.
What are the key properties of ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate?
ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-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 ethyl (1R)-2-methylidene-1-pent-4-enoylcyclopentane-1-carboxylate is sourced from PubChem (CID 134848156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).