(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one

C14H10N2O — CID 5388085

IUPAC(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccccn1
InChIInChI=1S/C14H10N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-9H,(H,16,17)/b12-9+
InChIKeyYKQONSWBHGBDSB-FMIVXFBMSA-N
MW222.25 g/mol
LogP2.57
Rot. Bonds1

About (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one

(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one (PubChem CID 5388085) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
PubChem CID5388085
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccccn1
InChIInChI=1S/C14H10N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-9H,(H,16,17)/b12-9+
InChIKeyYKQONSWBHGBDSB-FMIVXFBMSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one (CID 5388085) is (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1ccccn1.
What is the InChIKey of (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is YKQONSWBHGBDSB-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-9H,(H,16,17)/b12-9+.
What are the key properties of (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one?
(3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 222.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(pyridin-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 5388085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).