(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one

C15H10N2O3 — CID 12525674

IUPAC(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one
SMILESO=C1N/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C15H10N2O3/c18-15-13-4-2-1-3-12(13)14(16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b14-9-
InChIKeyGALCSVQNYWMDEK-ZROIWOOFSA-N
MW266.26 g/mol
LogP2.84
Rot. Bonds2

About (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one

(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one (PubChem CID 12525674) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one
PubChem CID12525674
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one
SMILESO=C1N/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C15H10N2O3/c18-15-13-4-2-1-3-12(13)14(16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b14-9-
InChIKeyGALCSVQNYWMDEK-ZROIWOOFSA-N
XLogP2.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one?
The IUPAC name of (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one (CID 12525674) is (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one.
What is the SMILES notation for (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one?
The canonical SMILES for (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one is O=C1N/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one?
The InChIKey is GALCSVQNYWMDEK-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-13-4-2-1-3-12(13)14(16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b14-9-.
What are the key properties of (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one?
(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one has a molecular weight of 266.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one is sourced from PubChem (CID 12525674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).