3-(1H-indol-4-ylmethylidene)-1H-indol-2-one

C17H12N2O — CID 69453304

IUPAC3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cccc2[nH]ccc12
InChIInChI=1S/C17H12N2O/c20-17-14(13-5-1-2-6-16(13)19-17)10-11-4-3-7-15-12(11)8-9-18-15/h1-10,18H,(H,19,20)
InChIKeyVNYHSSAEVGASDF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.66
Rot. Bonds1

About 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one

3-(1H-indol-4-ylmethylidene)-1H-indol-2-one (PubChem CID 69453304) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
PubChem CID69453304
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1cccc2[nH]ccc12
InChIInChI=1S/C17H12N2O/c20-17-14(13-5-1-2-6-16(13)19-17)10-11-4-3-7-15-12(11)8-9-18-15/h1-10,18H,(H,19,20)
InChIKeyVNYHSSAEVGASDF-UHFFFAOYSA-N
XLogP3.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 33625
CID 33625
CID 2396
CID 2396
CID 397
CID 397
CID 333703
CID 333703
CID 2403
CID 2403
CID 70547
CID 70547
CID 14973220
CID 14973220
CID 23063810
CID 23063810
CID 38102
CID 38102
CID 12802
CID 12802
CID 65768
CID 65768
CID 131007
CID 131007

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one (CID 69453304) is 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1cccc2[nH]ccc12.
What is the InChIKey of 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one?
The InChIKey is VNYHSSAEVGASDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17-14(13-5-1-2-6-16(13)19-17)10-11-4-3-7-15-12(11)8-9-18-15/h1-10,18H,(H,19,20).
What are the key properties of 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one?
3-(1H-indol-4-ylmethylidene)-1H-indol-2-one has a molecular weight of 260.30 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 69453304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).