N-(4-nitroanilino)ethanimidoyl cyanide

C9H8N4O2 — CID 150448638

IUPACN-(4-nitroanilino)ethanimidoyl cyanide
SMILESCC(C#N)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N4O2/c1-7(6-10)11-12-8-2-4-9(5-3-8)13(14)15/h2-5,12H,1H3
InChIKeyHNHQMEUUXYZKOP-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.91
Rot. Bonds3

About N-(4-nitroanilino)ethanimidoyl cyanide

N-(4-nitroanilino)ethanimidoyl cyanide (PubChem CID 150448638) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(4-nitroanilino)ethanimidoyl cyanide.

Molecular Properties

Compound NameN-(4-nitroanilino)ethanimidoyl cyanide
PubChem CID150448638
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-(4-nitroanilino)ethanimidoyl cyanide
SMILESCC(C#N)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N4O2/c1-7(6-10)11-12-8-2-4-9(5-3-8)13(14)15/h2-5,12H,1H3
InChIKeyHNHQMEUUXYZKOP-UHFFFAOYSA-N
XLogP1.91
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.91
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

(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
(1Z)-4-nitro-N-(4-nitroanilino)benzenecarboximidoyl cyanide
CID 12706509
methyl 2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 71330620
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
2,2-dimethyl-N-(4-nitrophenyl)propanehydrazonoyl bromide
CID 71359909
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
CID 3579160
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
(1Z)-2-(2-methoxyethylamino)-N-(4-nitroanilino)-2-oxoethanimidoyl cyanide
CID 11449178
2-methylpropyl (2Z)-2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 5361268

Frequently Asked Questions

What is the IUPAC name of N-(4-nitroanilino)ethanimidoyl cyanide?
The IUPAC name of N-(4-nitroanilino)ethanimidoyl cyanide (CID 150448638) is N-(4-nitroanilino)ethanimidoyl cyanide.
What is the SMILES notation for N-(4-nitroanilino)ethanimidoyl cyanide?
The canonical SMILES for N-(4-nitroanilino)ethanimidoyl cyanide is CC(C#N)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitroanilino)ethanimidoyl cyanide?
The InChIKey is HNHQMEUUXYZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-7(6-10)11-12-8-2-4-9(5-3-8)13(14)15/h2-5,12H,1H3.
What are the key properties of N-(4-nitroanilino)ethanimidoyl cyanide?
N-(4-nitroanilino)ethanimidoyl cyanide has a molecular weight of 204.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitroanilino)ethanimidoyl cyanide is sourced from PubChem (CID 150448638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).