1,2-bis(2-nitroethenyl)benzene

C10H8N2O4 — CID 154283712

IUPAC1,2-bis(2-nitroethenyl)benzene
SMILESO=[N+]([O-])C=Cc1ccccc1C=C[N+](=O)[O-]
InChIInChI=1S/C10H8N2O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H
InChIKeyMKKHFIYNLRCVBG-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.18
Rot. Bonds4

About 1,2-bis(2-nitroethenyl)benzene

1,2-bis(2-nitroethenyl)benzene (PubChem CID 154283712) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 1,2-bis(2-nitroethenyl)benzene.

Molecular Properties

Compound Name1,2-bis(2-nitroethenyl)benzene
PubChem CID154283712
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name1,2-bis(2-nitroethenyl)benzene
SMILESO=[N+]([O-])C=Cc1ccccc1C=C[N+](=O)[O-]
InChIInChI=1S/C10H8N2O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H
InChIKeyMKKHFIYNLRCVBG-UHFFFAOYSA-N
XLogP2.18
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.18
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

[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-(2-bromoethyl)-2-(2-nitroethenyl)benzene
CID 53427949
4-[(E)-2-nitroethenyl]-1H-indole
CID 13100900
1-bromo-2-[(E)-2-nitroethenyl]naphthalene
CID 135381885
1-(2-cyclohexylethynyl)-2-[(E)-2-nitroethenyl]benzene
CID 165354043
1-methoxy-2-(2-nitroethenyl)naphthalene
CID 171137628
3-methoxy-1-(2-nitroethenyl)naphthalene
CID 135381264
1,3-dimethyl-2-[(E)-2-nitroethenyl]benzene
CID 23502673
2-ethoxy-6-(2-nitroethenyl)phenol
CID 2758749
1-(2-nitroethenyl)-4-phenoxybenzene
CID 54104165
2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-nitroethenyl)benzene?
The IUPAC name of 1,2-bis(2-nitroethenyl)benzene (CID 154283712) is 1,2-bis(2-nitroethenyl)benzene.
What is the SMILES notation for 1,2-bis(2-nitroethenyl)benzene?
The canonical SMILES for 1,2-bis(2-nitroethenyl)benzene is O=[N+]([O-])C=Cc1ccccc1C=C[N+](=O)[O-].
What is the InChIKey of 1,2-bis(2-nitroethenyl)benzene?
The InChIKey is MKKHFIYNLRCVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H.
What are the key properties of 1,2-bis(2-nitroethenyl)benzene?
1,2-bis(2-nitroethenyl)benzene has a molecular weight of 220.18 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-nitroethenyl)benzene is sourced from PubChem (CID 154283712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).