3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one

C19H17NO2 — CID 70211978

IUPAC3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CC1CCc2ccccc2C1O
InChIInChI=1S/C19H17NO2/c21-18-13(10-9-12-5-1-2-6-14(12)18)11-16-15-7-3-4-8-17(15)20-19(16)22/h1-8,11,13,18,21H,9-10H2,(H,20,22)
InChIKeyWDWRKEHGKWTDGB-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.32
Rot. Bonds1

About 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one

3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one (PubChem CID 70211978) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one
PubChem CID70211978
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CC1CCc2ccccc2C1O
InChIInChI=1S/C19H17NO2/c21-18-13(10-9-12-5-1-2-6-14(12)18)11-16-15-7-3-4-8-17(15)20-19(16)22/h1-8,11,13,18,21H,9-10H2,(H,20,22)
InChIKeyWDWRKEHGKWTDGB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2,3,4-tetrahydronaphthalen-2-ylmethylidene)-1H-indol-2-one
CID 70213917
5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
CID 70276991
cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
CID 154701298
3-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylidene]-1H-indol-2-one
CID 11861361
(3Z)-3-[(2-oxocyclohexyl)methylidene]-1H-indol-2-one
CID 11207213
(3E)-3-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylidene]-1H-indol-2-one
CID 99935886
(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 92852371
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892
(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one (CID 70211978) is 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=CC1CCc2ccccc2C1O.
What is the InChIKey of 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is WDWRKEHGKWTDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-13(10-9-12-5-1-2-6-14(12)18)11-16-15-7-3-4-8-17(15)20-19(16)22/h1-8,11,13,18,21H,9-10H2,(H,20,22).
What are the key properties of 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one?
3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70211978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).