methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate

C15H10ClNO4 — CID 17391917

IUPACmethyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1/C=C1\C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C15H10ClNO4/c1-20-15(19)13-8(4-5-21-13)6-11-10-7-9(16)2-3-12(10)17-14(11)18/h2-7H,1H3,(H,17,18)/b11-6-
InChIKeyGPJPOOYFGXLZCZ-WDZFZDKYSA-N
MW303.70 g/mol
LogP3.21
Rot. Bonds2

About methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate

methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate (PubChem CID 17391917) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate
PubChem CID17391917
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Namemethyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1/C=C1\C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C15H10ClNO4/c1-20-15(19)13-8(4-5-21-13)6-11-10-7-9(16)2-3-12(10)17-14(11)18/h2-7H,1H3,(H,17,18)/b11-6-
InChIKeyGPJPOOYFGXLZCZ-WDZFZDKYSA-N
XLogP3.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate with MolForge

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Related Compounds

(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320
3-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4815875
(3E)-5-chloro-3-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 112979126
5-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244
(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
CID 2688434
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 5027354
ethyl 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate
CID 67281073
(3E)-5-chloro-3-[(2,4,6-trimethylphenyl)methylidene]-1H-indol-2-one
CID 112979123
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
CID 7947107
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate (CID 17391917) is methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate is COC(=O)c1occc1/C=C1\C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate?
The InChIKey is GPJPOOYFGXLZCZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-20-15(19)13-8(4-5-21-13)6-11-10-7-9(16)2-3-12(10)17-14(11)18/h2-7H,1H3,(H,17,18)/b11-6-.
What are the key properties of methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate?
methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate has a molecular weight of 303.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-carboxylate is sourced from PubChem (CID 17391917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).