methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate

C12H18O3 — CID 102348540

IUPACmethyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)OC)C(=O)C(C)C
InChIInChI=1S/C12H18O3/c1-8(2)10(13)12(11(14)15-4)7-5-6-9(12)3/h8H,3,5-7H2,1-2,4H3
InChIKeyVBYZQLHEAGYNLT-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.11
Rot. Bonds3

About methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate

methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate (PubChem CID 102348540) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate
PubChem CID102348540
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)OC)C(=O)C(C)C
InChIInChI=1S/C12H18O3/c1-8(2)10(13)12(11(14)15-4)7-5-6-9(12)3/h8H,3,5-7H2,1-2,4H3
InChIKeyVBYZQLHEAGYNLT-UHFFFAOYSA-N
XLogP2.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.11
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'}

Analyze methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-allyl-2-oxocyclopentane-1-carboxylate
CID 10081040
cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
Methyl 1-acetyl-2-methylidenecyclopentane-1-carboxylate
CID 10943095
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061
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
Methyl 2-methylidene-1-propanoylcyclopentane-1-carboxylate
CID 11687060
Methyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 12476146
Ethyl 1-acetyl-3,4-dimethylcyclopent-2-ene-1-carboxylate
CID 12530283
Ethyl 1-acetyl-2-methylidenecyclopentane-1-carboxylate
CID 13063373
Methyl 6-methyl-3-oxo-2-prop-2-enylhept-6-enoate
CID 13929061

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate (CID 102348540) is methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate is C=C1CCCC1(C(=O)OC)C(=O)C(C)C.
What is the InChIKey of methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate?
The InChIKey is VBYZQLHEAGYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)10(13)12(11(14)15-4)7-5-6-9(12)3/h8H,3,5-7H2,1-2,4H3.
What are the key properties of methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate?
methyl 2-methylidene-1-(2-methylpropanoyl)cyclopentane-1-carboxylate has a molecular weight of 210.27 g/mol, XLogP of 2.11, 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-(2-methylpropanoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102348540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).