(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one

C15H9ClN2O4 — CID 6363126

IUPAC(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H9ClN2O4/c16-9-5-8(14(19)13(7-9)18(21)22)6-11-10-3-1-2-4-12(10)17-15(11)20/h1-7,19H,(H,17,20)/b11-6+
InChIKeyPUTSWYWHAIOCEW-IZZDOVSWSA-N
MW316.70 g/mol
LogP3.45
Rot. Bonds2

About (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one

(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one (PubChem CID 6363126) has the molecular formula C15H9ClN2O4 and a molecular weight of 316.70 g/mol. Its IUPAC name is (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
PubChem CID6363126
Molecular FormulaC15H9ClN2O4
Molecular Weight316.70 g/mol
Exact Mass316.03
IUPAC Name(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H9ClN2O4/c16-9-5-8(14(19)13(7-9)18(21)22)6-11-10-3-1-2-4-12(10)17-15(11)20/h1-7,19H,(H,17,20)/b11-6+
InChIKeyPUTSWYWHAIOCEW-IZZDOVSWSA-N
XLogP3.45
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 2357006
2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
CID 135757360
(3E)-3-[(2-bromophenyl)methylidene]-6-chloro-5-nitro-1H-indol-2-one
CID 43068024
3-(4-chloro-2-nitrophenyl)-6-iodo-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 4978506
(3Z)-3-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 6889590
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 18270118
(2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 126113711
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
(3Z)-3-[(5-nitrothiophen-2-yl)methylidene]-1H-indol-2-one
CID 74982383
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 126051243
N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
CID 163155804

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one (CID 6363126) is (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one?
The InChIKey is PUTSWYWHAIOCEW-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H9ClN2O4/c16-9-5-8(14(19)13(7-9)18(21)22)6-11-10-3-1-2-4-12(10)17-15(11)20/h1-7,19H,(H,17,20)/b11-6+.
What are the key properties of (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one has a molecular weight of 316.70 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 6363126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).