3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one

C19H17NO2 — CID 70338111

IUPAC3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1c(O)ccc2c1CCCC2
InChIInChI=1S/C19H17NO2/c21-18-10-9-12-5-1-2-6-13(12)15(18)11-16-14-7-3-4-8-17(14)20-19(16)22/h3-4,7-11,21H,1-2,5-6H2,(H,20,22)
InChIKeyQEBOXIKQCPFWTG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.76
Rot. Bonds1

About 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one

3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one (PubChem CID 70338111) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
PubChem CID70338111
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1c(O)ccc2c1CCCC2
InChIInChI=1S/C19H17NO2/c21-18-10-9-12-5-1-2-6-13(12)15(18)11-16-14-7-3-4-8-17(14)20-19(16)22/h3-4,7-11,21H,1-2,5-6H2,(H,20,22)
InChIKeyQEBOXIKQCPFWTG-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one (CID 70338111) is 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1c(O)ccc2c1CCCC2.
What is the InChIKey of 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
The InChIKey is QEBOXIKQCPFWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-10-9-12-5-1-2-6-13(12)15(18)11-16-14-7-3-4-8-17(14)20-19(16)22/h3-4,7-11,21H,1-2,5-6H2,(H,20,22).
What are the key properties of 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70338111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).