ethyl 3-methylidene-2-oxoindole-1-carboxylate

C12H11NO3 — CID 141183586

IUPACethyl 3-methylidene-2-oxoindole-1-carboxylate
SMILESC=C1C(=O)N(C(=O)OCC)c2ccccc21
InChIInChI=1S/C12H11NO3/c1-3-16-12(15)13-10-7-5-4-6-9(10)8(2)11(13)14/h4-7H,2-3H2,1H3
InChIKeySXYHODAVASRUJA-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.20
Rot. Bonds1

About ethyl 3-methylidene-2-oxoindole-1-carboxylate

ethyl 3-methylidene-2-oxoindole-1-carboxylate (PubChem CID 141183586) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 3-methylidene-2-oxoindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylidene-2-oxoindole-1-carboxylate
PubChem CID141183586
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 3-methylidene-2-oxoindole-1-carboxylate
SMILESC=C1C(=O)N(C(=O)OCC)c2ccccc21
InChIInChI=1S/C12H11NO3/c1-3-16-12(15)13-10-7-5-4-6-9(10)8(2)11(13)14/h4-7H,2-3H2,1H3
InChIKeySXYHODAVASRUJA-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylidene-2-oxoindole-1-carboxylate?
The IUPAC name of ethyl 3-methylidene-2-oxoindole-1-carboxylate (CID 141183586) is ethyl 3-methylidene-2-oxoindole-1-carboxylate.
What is the SMILES notation for ethyl 3-methylidene-2-oxoindole-1-carboxylate?
The canonical SMILES for ethyl 3-methylidene-2-oxoindole-1-carboxylate is C=C1C(=O)N(C(=O)OCC)c2ccccc21.
What is the InChIKey of ethyl 3-methylidene-2-oxoindole-1-carboxylate?
The InChIKey is SXYHODAVASRUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-3-16-12(15)13-10-7-5-4-6-9(10)8(2)11(13)14/h4-7H,2-3H2,1H3.
What are the key properties of ethyl 3-methylidene-2-oxoindole-1-carboxylate?
ethyl 3-methylidene-2-oxoindole-1-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylidene-2-oxoindole-1-carboxylate is sourced from PubChem (CID 141183586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).