(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one

C17H16N2O2 — CID 122182244

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)cc1
InChIInChI=1S/C17H16N2O2/c1-19(2)12-5-3-11(4-6-12)9-15-14-10-13(20)7-8-16(14)18-17(15)21/h3-10,20H,1-2H3,(H,18,21)/b15-9-
InChIKeyZQNDDCRUJDNASW-DHDCSXOGSA-N
MW280.33 g/mol
LogP2.95
Rot. Bonds2

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one (PubChem CID 122182244) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one
PubChem CID122182244
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)cc1
InChIInChI=1S/C17H16N2O2/c1-19(2)12-5-3-11(4-6-12)9-15-14-10-13(20)7-8-16(14)18-17(15)21/h3-10,20H,1-2H3,(H,18,21)/b15-9-
InChIKeyZQNDDCRUJDNASW-DHDCSXOGSA-N
XLogP2.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxyoxindole
CID 76955
(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
methyl 3-(5-hydroxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)propyl(methyl)carbamate
CID 3102997
(Z)-3-(3-hydroxybenzylidene)indolin-2-one
CID 2077962
3-(4-Hydroxybenzylidenyl)indolin-2-one
CID 5874584
6-hydroxy-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10949445
4-[2-[2-(4-Hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one
CID 23322053
5-Hydroxy-2-(4-hydroxy-2-methylphenyl)isoindoline-1,3-dione
CID 44430374
2-(5-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-ylidene)propanedinitrile
CID 5328756
5-(4-Hydroxyanilino)-2-methylisoindole-1,3-dione
CID 46231004
(3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-hydroxy-1H-indol-2-one
CID 122182253
4-(dimethylamino)-N-[4-[3-(3-hydroxyphenyl)pyrrolidin-1-yl]butyl]benzamide
CID 145968810

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one (CID 122182244) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one is CN(C)c1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one?
The InChIKey is ZQNDDCRUJDNASW-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(2)12-5-3-11(4-6-12)9-15-14-10-13(20)7-8-16(14)18-17(15)21/h3-10,20H,1-2H3,(H,18,21)/b15-9-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one is sourced from PubChem (CID 122182244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).