(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one

C15H9ClN2O3 — CID 2357006

IUPAC(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9ClN2O3/c16-12-6-5-9(8-14(12)18(20)21)7-11-10-3-1-2-4-13(10)17-15(11)19/h1-8H,(H,17,19)/b11-7+
InChIKeyPHKDAHPCWFOZDP-YRNVUSSQSA-N
MW300.70 g/mol
LogP3.74
Rot. Bonds2

About (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one

(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one (PubChem CID 2357006) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
PubChem CID2357006
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9ClN2O3/c16-12-6-5-9(8-14(12)18(20)21)7-11-10-3-1-2-4-13(10)17-15(11)19/h1-8H,(H,17,19)/b11-7+
InChIKeyPHKDAHPCWFOZDP-YRNVUSSQSA-N
XLogP3.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-chloro-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 2688437
(3E)-6-chloro-3-[(4-methyl-3-nitrophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 43071469
5,7-dibromo-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 57229658
(3E)-6-chloro-3-[(4-fluorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 43068039
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 6363126
3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methylidene]-1H-indol-2-one
CID 3886738
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379699
(3E)-3-[(2-bromophenyl)methylidene]-6-chloro-5-nitro-1H-indol-2-one
CID 43068024
(3Z)-3-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
CID 126122117
(3Z)-3-[(4-chlorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 134104720

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one (CID 2357006) is (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one?
The InChIKey is PHKDAHPCWFOZDP-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-6-5-9(8-14(12)18(20)21)7-11-10-3-1-2-4-13(10)17-15(11)19/h1-8H,(H,17,19)/b11-7+.
What are the key properties of (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one has a molecular weight of 300.70 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2357006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).