(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one

C20H19N3O3 — CID 135702055

IUPAC(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=N\N=C(/C)c2cc(OC)ccc2O)c2ccccc21
InChIInChI=1S/C20H19N3O3/c1-4-11-23-17-8-6-5-7-15(17)19(20(23)25)22-21-13(2)16-12-14(26-3)9-10-18(16)24/h4-10,12,24H,1,11H2,2-3H3/b21-13+,22-19-
InChIKeySRVNLVCIWZZZDX-NYOGSRRGSA-N
MW349.39 g/mol
LogP3.15
Rot. Bonds5

About (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one

(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one (PubChem CID 135702055) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one
PubChem CID135702055
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=N\N=C(/C)c2cc(OC)ccc2O)c2ccccc21
InChIInChI=1S/C20H19N3O3/c1-4-11-23-17-8-6-5-7-15(17)19(20(23)25)22-21-13(2)16-12-14(26-3)9-10-18(16)24/h4-10,12,24H,1,11H2,2-3H3/b21-13+,22-19-
InChIKeySRVNLVCIWZZZDX-NYOGSRRGSA-N
XLogP3.15
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
CID 174077132
(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135702042
(3Z)-3-[(E)-(4-hydroxy-3-nitrophenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135577356
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008
(3E)-3-(2-adamantylidenehydrazinylidene)-1-prop-2-enylindol-2-one
CID 9216091
(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9216037
3-(3-chloro-4-methylphenyl)imino-1-prop-2-enylindol-2-one
CID 3513622
3-(2,5-dimethoxyphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5214770
(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 135733167
(3E)-1-prop-2-enyl-3-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]indol-2-one
CID 6904542
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
2-nitro-4-[(Z)-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinylidene]methyl]phenolate
CID 9215978

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The IUPAC name of (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one (CID 135702055) is (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The canonical SMILES for (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one is C=CCN1C(=O)/C(=N\N=C(/C)c2cc(OC)ccc2O)c2ccccc21.
What is the InChIKey of (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The InChIKey is SRVNLVCIWZZZDX-NYOGSRRGSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-4-11-23-17-8-6-5-7-15(17)19(20(23)25)22-21-13(2)16-12-14(26-3)9-10-18(16)24/h4-10,12,24H,1,11H2,2-3H3/b21-13+,22-19-.
What are the key properties of (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one is sourced from PubChem (CID 135702055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).