(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one

C18H13ClN2O2 — CID 172934341

IUPAC(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
SMILESCO/N=C1C(=C2/C(=O)Nc3ccc(Cl)cc32)/Cc2ccccc2/1
InChIInChI=1S/C18H13ClN2O2/c1-23-21-17-12-5-3-2-4-10(12)8-14(17)16-13-9-11(19)6-7-15(13)20-18(16)22/h2-7,9H,8H2,1H3,(H,20,22)/b16-14+,21-17+
InChIKeyXBPIRRYFOKIACQ-BKKRHBAOSA-N
MW324.77 g/mol
LogP3.65
Rot. Bonds1

About (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one

(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one (PubChem CID 172934341) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
PubChem CID172934341
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
SMILESCO/N=C1C(=C2/C(=O)Nc3ccc(Cl)cc32)/Cc2ccccc2/1
InChIInChI=1S/C18H13ClN2O2/c1-23-21-17-12-5-3-2-4-10(12)8-14(17)16-13-9-11(19)6-7-15(13)20-18(16)22/h2-7,9H,8H2,1H3,(H,20,22)/b16-14+,21-17+
InChIKeyXBPIRRYFOKIACQ-BKKRHBAOSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-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

(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172922426
(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172930005
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
(3E)-5-chloro-3-(2-oxocyclohexylidene)-1H-indol-2-one
CID 10264656
(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
CID 172967082
(3E)-5-chloro-3-[(3Z)-3-ethoxyimino-1H-inden-2-ylidene]-6-methyl-1H-indol-2-one;5-chloro-6-methyl-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol;(3E)-5-chloro-6-methyl-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one;5-chloro-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol;methane;(3E)-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-6-methyl-1H-indol-2-one;6-methyl-5-nitro-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
CID 172917523
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one;ethane
CID 142815954
5-fluoro-3-methoxyimino-1H-indol-2-one
CID 137234814
(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one
CID 172921472
(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
CID 135747131
5-chloro-3-[5-(2,2-dimethoxyethyl)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68994587
(3E)-5-chloro-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]-1H-indol-2-one
CID 113196253

Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one (CID 172934341) is (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one is CO/N=C1C(=C2/C(=O)Nc3ccc(Cl)cc32)/Cc2ccccc2/1.
What is the InChIKey of (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
The InChIKey is XBPIRRYFOKIACQ-BKKRHBAOSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c1-23-21-17-12-5-3-2-4-10(12)8-14(17)16-13-9-11(19)6-7-15(13)20-18(16)22/h2-7,9H,8H2,1H3,(H,20,22)/b16-14+,21-17+.
What are the key properties of (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one has a molecular weight of 324.77 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one is sourced from PubChem (CID 172934341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).