(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one

C22H16N2O3 — CID 122182267

IUPAC(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one
SMILESO=C1/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14-
InChIKeyOZMOZYSNNYCTFH-ZHZULCJRSA-N
MW356.38 g/mol
LogP4.68
Rot. Bonds4

About (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one

(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one (PubChem CID 122182267) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one
PubChem CID122182267
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one
SMILESO=C1/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14-
InChIKeyOZMOZYSNNYCTFH-ZHZULCJRSA-N
XLogP4.68
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
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)-3-[(4-nitrophenyl)methylidene]-1-phenylindol-2-one
CID 126204727
2-[(4-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methylidene]isoquinoline-1,3-dione
CID 3916497
methyl (2E)-2-[1-[(4-nitrophenyl)methyl]-2-oxoindol-3-ylidene]acetate
CID 132556997
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-nitrophenyl)acetonitrile
CID 141335021
3-benzyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1375827
(3Z)-3-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126122985
(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
CID 122182254
2-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-4-nitrophenolate
CID 7302313
2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
CID 76656051
(3Z)-3-[[3-chloro-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126238
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5143715
(3E)-3-[(4-nitrophenyl)methylidene]-1-benzofuran-2-one
CID 14203214

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one?
The IUPAC name of (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one (CID 122182267) is (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one is O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one?
The InChIKey is OZMOZYSNNYCTFH-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14-.
What are the key properties of (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one?
(3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one has a molecular weight of 356.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-[(4-nitrophenyl)methylidene]indol-2-one is sourced from PubChem (CID 122182267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).