ethyl 2-(3-methyloxiran-2-ylidene)acetate

C7H10O3 — CID 141372783

IUPACethyl 2-(3-methyloxiran-2-ylidene)acetate
SMILESCCOC(=O)C=C1OC1C
InChIInChI=1S/C7H10O3/c1-3-9-7(8)4-6-5(2)10-6/h4-5H,3H2,1-2H3
InChIKeyYGFRKVWKFGPURX-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds2

About ethyl 2-(3-methyloxiran-2-ylidene)acetate

ethyl 2-(3-methyloxiran-2-ylidene)acetate (PubChem CID 141372783) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is ethyl 2-(3-methyloxiran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyloxiran-2-ylidene)acetate
PubChem CID141372783
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameethyl 2-(3-methyloxiran-2-ylidene)acetate
SMILESCCOC(=O)C=C1OC1C
InChIInChI=1S/C7H10O3/c1-3-9-7(8)4-6-5(2)10-6/h4-5H,3H2,1-2H3
InChIKeyYGFRKVWKFGPURX-UHFFFAOYSA-N
XLogP0.85
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-methyloxiran-2-ylidene)acetate 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

ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
ethyl (2E)-2-[5-(iodomethyl)oxolan-2-ylidene]acetate
CID 11140993
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (2E)-2-[(1R,4R,8R)-2-oxatricyclo[6.3.0.01,4]undecan-3-ylidene]acetate
CID 177428792
ethyl (E)-3-[(4R,5R)-5-methyl-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11063436
ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate
CID 101170361
ethyl (2Z)-2-(3-hydroxy-3,5,5-trimethyloxolan-2-ylidene)acetate
CID 14295233
ethyl (2E)-2-[(2S,3R,6S,7R,9E,10S,11R,12R,14S,15R,17S)-9-(2-ethoxy-2-oxoethylidene)-13-oxaheptacyclo[8.6.1.02,6.03,15.07,17.011,16.012,14]heptadecan-4-ylidene]acetate
CID 98557867

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyloxiran-2-ylidene)acetate?
The IUPAC name of ethyl 2-(3-methyloxiran-2-ylidene)acetate (CID 141372783) is ethyl 2-(3-methyloxiran-2-ylidene)acetate.
What is the SMILES notation for ethyl 2-(3-methyloxiran-2-ylidene)acetate?
The canonical SMILES for ethyl 2-(3-methyloxiran-2-ylidene)acetate is CCOC(=O)C=C1OC1C.
What is the InChIKey of ethyl 2-(3-methyloxiran-2-ylidene)acetate?
The InChIKey is YGFRKVWKFGPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-9-7(8)4-6-5(2)10-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methyloxiran-2-ylidene)acetate?
ethyl 2-(3-methyloxiran-2-ylidene)acetate has a molecular weight of 142.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyloxiran-2-ylidene)acetate is sourced from PubChem (CID 141372783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).