ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate

C11H16O3 — CID 11106268

IUPACethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate
SMILESC=C1C(=O)CCC1(C)CC(=O)OCC
InChIInChI=1S/C11H16O3/c1-4-14-10(13)7-11(3)6-5-9(12)8(11)2/h2,4-7H2,1,3H3
InChIKeyUDNIJNKEVHEOIU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate

ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate (PubChem CID 11106268) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate
PubChem CID11106268
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate
SMILESC=C1C(=O)CCC1(C)CC(=O)OCC
InChIInChI=1S/C11H16O3/c1-4-14-10(13)7-11(3)6-5-9(12)8(11)2/h2,4-7H2,1,3H3
InChIKeyUDNIJNKEVHEOIU-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
methyl 2-(4-ethoxy-1-methyl-2-oxocyclohex-3-en-1-yl)acetate
CID 11138833
ethyl 2,6,6-trimethyl-3-oxocyclohexene-1-carboxylate
CID 586472
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
ethyl 1-(2-ethoxy-2-oxoethyl)-3,4-dimethylidene-2-oxocyclopentane-1-carboxylate
CID 123363624
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-5,7-dimethyl-6-oxo-1,3-diazoniatricyclo[3.3.1.13,7]decan-2-yl]acetate
CID 6966521
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
ethyl 2-[(1R,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetate
CID 69021781
ethyl 2-(1-hydroxy-4-methyl-2-oxocyclopentyl)acetate
CID 57221354
ethyl 2-(2,3-dioxocyclopentyl)acetate
CID 91389872
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 2-(3-methyl-6-sulfanylidene-1,2,4,5-tetrazinan-3-yl)acetate
CID 753006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate?
The IUPAC name of ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate (CID 11106268) is ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate is C=C1C(=O)CCC1(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate?
The InChIKey is UDNIJNKEVHEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-14-10(13)7-11(3)6-5-9(12)8(11)2/h2,4-7H2,1,3H3.
What are the key properties of ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate?
ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate 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 ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate is sourced from PubChem (CID 11106268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).