1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene

C10H10N2O6 — CID 1421523

IUPAC1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene
SMILESCOc1cc(OC)c(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O6/c1-17-7-5-9(12(15)16)8(3-4-11(13)14)10(6-7)18-2/h3-6H,1-2H3/b4-3+
InChIKeyHNZVLFSBTBGMPC-ONEGZZNKSA-N
MW254.20 g/mol
LogP1.86
Rot. Bonds5

About 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene

1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene (PubChem CID 1421523) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene
PubChem CID1421523
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene
SMILESCOc1cc(OC)c(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O6/c1-17-7-5-9(12(15)16)8(3-4-11(13)14)10(6-7)18-2/h3-6H,1-2H3/b4-3+
InChIKeyHNZVLFSBTBGMPC-ONEGZZNKSA-N
XLogP1.86
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3,5-trinitrobenzene
CID 154881687
1,3,5-trimethoxy-2-[3-(4-methoxy-3-nitrophenyl)-3-[1-(4-methoxy-3-nitrophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 142801189
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
2-acetyl-4-methoxy-6-nitrobenzaldehyde
CID 171022621
2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 40567403
2-chloro-N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]acetamide
CID 164611020
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
1,3-difluoro-2-[(E)-2-nitroethenyl]-5-(trideuteriomethoxy)benzene
CID 142352492

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene (CID 1421523) is 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene is COc1cc(OC)c(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene?
The InChIKey is HNZVLFSBTBGMPC-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N2O6/c1-17-7-5-9(12(15)16)8(3-4-11(13)14)10(6-7)18-2/h3-6H,1-2H3/b4-3+.
What are the key properties of 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene?
1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene has a molecular weight of 254.20 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 1421523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).