4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline

C12H10N4O5 — CID 2831871

IUPAC4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10N4O5/c1-8(11-6-7-12(21-11)16(19)20)13-14-9-2-4-10(5-3-9)15(17)18/h2-7,14H,1H3
InChIKeyNSHXSONGROCLKM-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.93
Rot. Bonds5

About 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline

4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline (PubChem CID 2831871) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
PubChem CID2831871
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H10N4O5/c1-8(11-6-7-12(21-11)16(19)20)13-14-9-2-4-10(5-3-9)15(17)18/h2-7,14H,1H3
InChIKeyNSHXSONGROCLKM-UHFFFAOYSA-N
XLogP2.93
TPSA123.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-[1-(4-bromophenyl)ethylideneamino]-4-nitroaniline
CID 607339
2-cyano-N-[(E)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
CID 5331214
5-nitro-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide
CID 26445857
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
N-[1-(2,4-dimethylphenyl)ethylideneamino]-4-nitroaniline
CID 3579160
ethyl N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 6372599
ethyl N-[1-(5-nitrofuran-2-yl)ethylideneamino]carbamate
CID 3633042
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline?
The IUPAC name of 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline (CID 2831871) is 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline.
What is the SMILES notation for 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline?
The canonical SMILES for 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline is CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline?
The InChIKey is NSHXSONGROCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c1-8(11-6-7-12(21-11)16(19)20)13-14-9-2-4-10(5-3-9)15(17)18/h2-7,14H,1H3.
What are the key properties of 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline?
4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline has a molecular weight of 290.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[1-(5-nitrofuran-2-yl)ethylideneamino]aniline is sourced from PubChem (CID 2831871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).