(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one

C15H10N4O3 — CID 135603924

IUPAC(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O3/c20-15-14(12-3-1-2-4-13(12)17-15)18-16-9-10-5-7-11(8-6-10)19(21)22/h1-9H,(H,17,18,20)/b16-9-
InChIKeyNSOVHQFAWSUPMB-SXGWCWSVSA-N
MW294.27 g/mol
LogP2.37
Rot. Bonds3

About (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135603924) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135603924
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O3/c20-15-14(12-3-1-2-4-13(12)17-15)18-16-9-10-5-7-11(8-6-10)19(21)22/h1-9H,(H,17,18,20)/b16-9-
InChIKeyNSOVHQFAWSUPMB-SXGWCWSVSA-N
XLogP2.37
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135676256
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
CID 162787009
(3Z)-3-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 135576641

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one (CID 135603924) is (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is NSOVHQFAWSUPMB-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15-14(12-3-1-2-4-13(12)17-15)18-16-9-10-5-7-11(8-6-10)19(21)22/h1-9H,(H,17,18,20)/b16-9-.
What are the key properties of (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 294.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135603924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).