methyl 2-indol-2-ylideneacetate

C11H9NO2 — CID 175688695

IUPACmethyl 2-indol-2-ylideneacetate
SMILESCOC(=O)C=C1C=c2ccccc2=N1
InChIInChI=1S/C11H9NO2/c1-14-11(13)7-9-6-8-4-2-3-5-10(8)12-9/h2-7H,1H3
InChIKeyPDZLUUNXMMGRLA-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.16
Rot. Bonds1

About methyl 2-indol-2-ylideneacetate

methyl 2-indol-2-ylideneacetate (PubChem CID 175688695) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is methyl 2-indol-2-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-indol-2-ylideneacetate
PubChem CID175688695
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Namemethyl 2-indol-2-ylideneacetate
SMILESCOC(=O)C=C1C=c2ccccc2=N1
InChIInChI=1S/C11H9NO2/c1-14-11(13)7-9-6-8-4-2-3-5-10(8)12-9/h2-7H,1H3
InChIKeyPDZLUUNXMMGRLA-UHFFFAOYSA-N
XLogP0.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.16
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 methyl 2-indol-2-ylideneacetate?
The IUPAC name of methyl 2-indol-2-ylideneacetate (CID 175688695) is methyl 2-indol-2-ylideneacetate.
What is the SMILES notation for methyl 2-indol-2-ylideneacetate?
The canonical SMILES for methyl 2-indol-2-ylideneacetate is COC(=O)C=C1C=c2ccccc2=N1.
What is the InChIKey of methyl 2-indol-2-ylideneacetate?
The InChIKey is PDZLUUNXMMGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-11(13)7-9-6-8-4-2-3-5-10(8)12-9/h2-7H,1H3.
What are the key properties of methyl 2-indol-2-ylideneacetate?
methyl 2-indol-2-ylideneacetate has a molecular weight of 187.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-indol-2-ylideneacetate is sourced from PubChem (CID 175688695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).