methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate

C11H16O3 — CID 11687060

IUPACmethyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)CC)C(=O)OC
InChIInChI=1S/C11H16O3/c1-4-9(12)11(10(13)14-3)7-5-6-8(11)2/h2,4-7H2,1,3H3
InChIKeyIGFCVNWFUPPHRG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate

methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate (PubChem CID 11687060) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate
PubChem CID11687060
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)CC)C(=O)OC
InChIInChI=1S/C11H16O3/c1-4-9(12)11(10(13)14-3)7-5-6-8(11)2/h2,4-7H2,1,3H3
InChIKeyIGFCVNWFUPPHRG-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
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

Methyl 1-allyl-2-oxocyclopentane-1-carboxylate
CID 10081040
2-Carbethoxy-2-allylcyclopentanone
CID 10910452
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
Methyl 1-acetyl-2-methylidenecyclopentane-1-carboxylate
CID 10943095
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061
ethyl (1R)-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 12320191
Tert-butyl 1-acetyl-2-methylidenecyclopentane-1-carboxylate
CID 101729449
methyl 1-[(E)-oct-1-enyl]-2-oxocyclopentane-1-carboxylate
CID 11064911
Methyl 2-acetyl-5-methylhex-5-enoate
CID 13346579
Ethyl 2-acetyl-2-pent-4-enylhept-6-enoate
CID 86194453
Tert-butyl 4,4,5-trimethyl-3-oxohex-5-enoate
CID 10398798

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate (CID 11687060) is methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate is C=C1CCCC1(C(=O)CC)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate?
The InChIKey is IGFCVNWFUPPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-9(12)11(10(13)14-3)7-5-6-8(11)2/h2,4-7H2,1,3H3.
What are the key properties of methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate?
methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate is sourced from PubChem (CID 11687060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).