1-nitro-4-[(Z)-2-nitroethenyl]benzene

C8H6N2O4 — CID 19165773

IUPAC1-nitro-4-[(Z)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H/b6-5-
InChIKeyHABXLWPUIWFTNM-WAYWQWQTSA-N
MW194.15 g/mol
LogP1.84
Rot. Bonds3

About 1-nitro-4-[(Z)-2-nitroethenyl]benzene

1-nitro-4-[(Z)-2-nitroethenyl]benzene (PubChem CID 19165773) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-nitro-4-[(Z)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(Z)-2-nitroethenyl]benzene
PubChem CID19165773
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1-nitro-4-[(Z)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H/b6-5-
InChIKeyHABXLWPUIWFTNM-WAYWQWQTSA-N
XLogP1.84
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
CID 123531168
4-[(Z)-2-nitroethenyl]phenol
CID 15311368
2-nitroethenylbenzene
CID 7626
[(E)-2-nitroethenyl]benzene
CID 5284459
1-(2-nitroethenyl)-4-[4-(2-nitroethenyl)phenyl]sulfonylbenzene
CID 87998421
1-[(E)-2-nitroethenyl]-4-[4-[(E)-2-nitroethenyl]phenyl]sulfonylbenzene
CID 173225544
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
[(E)-2-(4-nitrophenyl)ethenyl]boronic acid
CID 6031418
1-[(E)-3-bromoprop-1-enyl]-4-nitrobenzene
CID 10444388
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(Z)-2-nitroethenyl]benzene?
The IUPAC name of 1-nitro-4-[(Z)-2-nitroethenyl]benzene (CID 19165773) is 1-nitro-4-[(Z)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-nitro-4-[(Z)-2-nitroethenyl]benzene?
The canonical SMILES for 1-nitro-4-[(Z)-2-nitroethenyl]benzene is O=[N+]([O-])/C=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-nitro-4-[(Z)-2-nitroethenyl]benzene?
The InChIKey is HABXLWPUIWFTNM-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H/b6-5-.
What are the key properties of 1-nitro-4-[(Z)-2-nitroethenyl]benzene?
1-nitro-4-[(Z)-2-nitroethenyl]benzene has a molecular weight of 194.15 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(Z)-2-nitroethenyl]benzene is sourced from PubChem (CID 19165773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).