(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one

C18H12Cl2N2O2 — CID 172922426

IUPAC(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
SMILESCO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1
InChIInChI=1S/C18H12Cl2N2O2/c1-24-22-17-10-5-3-2-4-9(10)6-12(17)16-11-7-13(19)14(20)8-15(11)21-18(16)23/h2-5,7-8H,6H2,1H3,(H,21,23)/b16-12+,22-17+
InChIKeyQIJZLZIPMFRRBP-KOQHRSNOSA-N
MW359.21 g/mol
LogP4.31
Rot. Bonds1

About (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one

(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one (PubChem CID 172922426) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
PubChem CID172922426
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
SMILESCO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1
InChIInChI=1S/C18H12Cl2N2O2/c1-24-22-17-10-5-3-2-4-9(10)6-12(17)16-11-7-13(19)14(20)8-15(11)21-18(16)23/h2-5,7-8H,6H2,1H3,(H,21,23)/b16-12+,22-17+
InChIKeyQIJZLZIPMFRRBP-KOQHRSNOSA-N
XLogP4.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 54.31
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'}

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Related Compounds

(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172934341
(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172930005
(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
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
(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
2-benzylidene-N-methoxy-3H-inden-1-imine
CID 175907535
5-fluoro-3-methoxyimino-1H-indol-2-one
CID 137234814
ethane;4H-isoquinoline-1,3-dione
CID 91307302
8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201701
(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-2-yl) acetate
CID 10754296
(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
CID 10353181

Frequently Asked Questions

What is the IUPAC name of (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one (CID 172922426) is (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one is CO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.
What is the InChIKey of (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
The InChIKey is QIJZLZIPMFRRBP-KOQHRSNOSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c1-24-22-17-10-5-3-2-4-9(10)6-12(17)16-11-7-13(19)14(20)8-15(11)21-18(16)23/h2-5,7-8H,6H2,1H3,(H,21,23)/b16-12+,22-17+.
What are the key properties of (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one?
(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one has a molecular weight of 359.21 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one is sourced from PubChem (CID 172922426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).