methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate

C11H16O3 — CID 12940408

IUPACmethyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate
SMILESC=C(C)C(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C11H16O3/c1-7(2)10(12)8-5-4-6-9(8)11(13)14-3/h8-9H,1,4-6H2,2-3H3
InChIKeyGWHQQPBIDVAOMQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate

methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate (PubChem CID 12940408) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate
PubChem CID12940408
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate
SMILESC=C(C)C(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C11H16O3/c1-7(2)10(12)8-5-4-6-9(8)11(13)14-3/h8-9H,1,4-6H2,2-3H3
InChIKeyGWHQQPBIDVAOMQ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-methyl-4-methylenecyclopentanecarboxylate
CID 565539
methyl 2-[(1S,2S)-2-ethenyl-1-methyl-5-oxocyclopentyl]acetate
CID 15689885
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
trans-methyl (1S,2S)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 121340241
diethyl (1R,2R)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 929224
Methyl 7-fluoro-2-(3-oxobut-1-en-2-yl)heptanoate
CID 89856492
Diethyl 4-methylenecyclopentane-1,2-dicarboxylate
CID 556160
Dimethyl 4-methylidenecyclopentane-1,2-dicarboxylate
CID 556606
1,2-Cyclopentanedicarboxylic acid, 4-methylene-, dimethyl ester, trans-
CID 642644
trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 12537218
trans-dimethyl (1S,2S)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 12537223

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate (CID 12940408) is methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate is C=C(C)C(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate?
The InChIKey is GWHQQPBIDVAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(2)10(12)8-5-4-6-9(8)11(13)14-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate?
methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylprop-2-enoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 12940408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).