(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one

C18H17N3O2 — CID 9214007

IUPAC(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
SMILESCCOc1ccc(/C=N\N=C2/C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H17N3O2/c1-3-23-14-10-8-13(9-11-14)12-19-20-17-15-6-4-5-7-16(15)21(2)18(17)22/h4-12H,3H2,1-2H3/b19-12-,20-17-
InChIKeySYZAFBSOISZQOG-JLFVMOFQSA-N
MW307.35 g/mol
LogP2.88
Rot. Bonds4

About (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one

(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one (PubChem CID 9214007) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
PubChem CID9214007
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
SMILESCCOc1ccc(/C=N\N=C2/C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H17N3O2/c1-3-23-14-10-8-13(9-11-14)12-19-20-17-15-6-4-5-7-16(15)21(2)18(17)22/h4-12H,3H2,1-2H3/b19-12-,20-17-
InChIKeySYZAFBSOISZQOG-JLFVMOFQSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9214035
(3Z)-3-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213858
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide
CID 9213816
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
(3E)-3-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-methylindol-2-one
CID 17368285
2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213838
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
(3Z)-3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577165
(3Z)-3-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214138

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
The IUPAC name of (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one (CID 9214007) is (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
The canonical SMILES for (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one is CCOc1ccc(/C=N\N=C2/C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
The InChIKey is SYZAFBSOISZQOG-JLFVMOFQSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-23-14-10-8-13(9-11-14)12-19-20-17-15-6-4-5-7-16(15)21(2)18(17)22/h4-12H,3H2,1-2H3/b19-12-,20-17-.
What are the key properties of (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one?
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one is sourced from PubChem (CID 9214007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).