methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate

C12H11NO3 — CID 11367934

IUPACmethyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
SMILESCOC(=O)/C=C1/C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H11NO3/c1-13-10-6-4-3-5-8(10)9(12(13)15)7-11(14)16-2/h3-7H,1-2H3/b9-7+
InChIKeyOOXDPAUCZFVVES-VQHVLOKHSA-N
MW217.22 g/mol
LogP1.22
Rot. Bonds1

About methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate

methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate (PubChem CID 11367934) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
PubChem CID11367934
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
SMILESCOC(=O)/C=C1/C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H11NO3/c1-13-10-6-4-3-5-8(10)9(12(13)15)7-11(14)16-2/h3-7H,1-2H3/b9-7+
InChIKeyOOXDPAUCZFVVES-VQHVLOKHSA-N
XLogP1.22
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 ≤ 51.22
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 (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate (CID 11367934) is methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate is COC(=O)/C=C1/C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
The InChIKey is OOXDPAUCZFVVES-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H11NO3/c1-13-10-6-4-3-5-8(10)9(12(13)15)7-11(14)16-2/h3-7H,1-2H3/b9-7+.
What are the key properties of methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate has a molecular weight of 217.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate is sourced from PubChem (CID 11367934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).