methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate

C8H10O3 — CID 71352571

IUPACmethyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate
SMILESC=C1C(=O)CC[C@H]1C(=O)OC
InChIInChI=1S/C8H10O3/c1-5-6(8(10)11-2)3-4-7(5)9/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyMZIVFPBRQACWDG-ZCFIWIBFSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds1

About methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate

methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate (PubChem CID 71352571) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate
PubChem CID71352571
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate
SMILESC=C1C(=O)CC[C@H]1C(=O)OC
InChIInChI=1S/C8H10O3/c1-5-6(8(10)11-2)3-4-7(5)9/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyMZIVFPBRQACWDG-ZCFIWIBFSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
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

Cyclopentanecarboxylic acid, 2-methylene-3-oxo-
CID 70124
Sarkomycin
CID 114586
(r)-Sarkomycin
CID 114914
3-Methylidene-4-oxocyclopentane-1-carboxylic acid
CID 12304429
Sarkomycin methyl ester
CID 13877286
Cyclopentanecarboxylic acid, 2-methylene-3-oxo-, sodium salt
CID 23667260
Sodium sarkomycin
CID 24182187
Methyl 4-methyl-2-methylidene-5-oxohexanoate
CID 54762674
Methyl 2,3-dimethyl-5-methylidene-4-oxocyclopent-2-ene-1-carboxylate
CID 10103758
Methyl (1s)-2-methylidene-3-oxocyclopentane-carboxylate
CID 13877287
Propan-2-yl 2-methylidene-3-oxocyclopentane-1-carboxylate
CID 71430001
dl-Isosarkomycin ethyl ester
CID 24837233

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate (CID 71352571) is methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate is C=C1C(=O)CC[C@H]1C(=O)OC.
What is the InChIKey of methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate?
The InChIKey is MZIVFPBRQACWDG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-6(8(10)11-2)3-4-7(5)9/h6H,1,3-4H2,2H3/t6-/m1/s1.
What are the key properties of methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate?
methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2-methylidene-3-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 71352571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).