3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

C16H11N3O2 — CID 54039773

IUPAC3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C16H11N3O2/c20-10-3-4-14-12(7-10)9(8-18-14)6-13-11-2-1-5-17-15(11)19-16(13)21/h1-8,18,20H,(H,17,19,21)
InChIKeyLLMXFZFPBMHAPN-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.76
Rot. Bonds1

About 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 54039773) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID54039773
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C16H11N3O2/c20-10-3-4-14-12(7-10)9(8-18-14)6-13-11-2-1-5-17-15(11)19-16(13)21/h1-8,18,20H,(H,17,19,21)
InChIKeyLLMXFZFPBMHAPN-UHFFFAOYSA-N
XLogP2.76
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (CID 54039773) is 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncccc2C1=Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is LLMXFZFPBMHAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-10-3-4-14-12(7-10)9(8-18-14)6-13-11-2-1-5-17-15(11)19-16(13)21/h1-8,18,20H,(H,17,19,21).
What are the key properties of 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 277.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 54039773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).