(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one

C15H11N3O3 — CID 6251364

IUPAC(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
SMILESO=C1C/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C15H11N3O3/c19-15-9-14(12-3-1-2-4-13(12)15)17-16-10-5-7-11(8-6-10)18(20)21/h1-8,16H,9H2/b17-14-
InChIKeyGFPMSDAAABXZHE-VKAVYKQESA-N
MW281.27 g/mol
LogP3.00
Rot. Bonds3

About (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one

(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one (PubChem CID 6251364) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
PubChem CID6251364
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
SMILESO=C1C/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C15H11N3O3/c19-15-9-14(12-3-1-2-4-13(12)15)17-16-10-5-7-11(8-6-10)18(20)21/h1-8,16H,9H2/b17-14-
InChIKeyGFPMSDAAABXZHE-VKAVYKQESA-N
XLogP3.00
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
CID 101015123
N-(cyclohexylideneamino)-4-nitroaniline
CID 616169
(3E)-4,4-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]oxolan-2-one
CID 5337667
N-[(E)-(15-methyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-2-ylidene)amino]-4-nitroaniline
CID 42648088
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
N-[(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]-4-nitroaniline
CID 2741143
3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030
N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline
CID 135712949
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one?
The IUPAC name of (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one (CID 6251364) is (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one.
What is the SMILES notation for (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one?
The canonical SMILES for (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one is O=C1C/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one?
The InChIKey is GFPMSDAAABXZHE-VKAVYKQESA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15-9-14(12-3-1-2-4-13(12)15)17-16-10-5-7-11(8-6-10)18(20)21/h1-8,16H,9H2/b17-14-.
What are the key properties of (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one?
(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one has a molecular weight of 281.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one is sourced from PubChem (CID 6251364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).