(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one

C16H14N2O2 — CID 5473201

IUPAC(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc2c(cc1C)NC(=O)/C2=C/c1ccccn1
InChIInChI=1S/C16H14N2O2/c1-10-7-14-12(9-15(10)20-2)13(16(19)18-14)8-11-5-3-4-6-17-11/h3-9H,1-2H3,(H,18,19)/b13-8+
InChIKeyCEARWSYVVFRUEQ-MDWZMJQESA-N
MW266.30 g/mol
LogP2.89
Rot. Bonds2

About (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one

(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one (PubChem CID 5473201) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
PubChem CID5473201
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc2c(cc1C)NC(=O)/C2=C/c1ccccn1
InChIInChI=1S/C16H14N2O2/c1-10-7-14-12(9-15(10)20-2)13(16(19)18-14)8-11-5-3-4-6-17-11/h3-9H,1-2H3,(H,18,19)/b13-8+
InChIKeyCEARWSYVVFRUEQ-MDWZMJQESA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one (CID 5473201) is (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one is COc1cc2c(cc1C)NC(=O)/C2=C/c1ccccn1.
What is the InChIKey of (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is CEARWSYVVFRUEQ-MDWZMJQESA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-14-12(9-15(10)20-2)13(16(19)18-14)8-11-5-3-4-6-17-11/h3-9H,1-2H3,(H,18,19)/b13-8+.
What are the key properties of (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 5473201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).