[(Z)-1-methoxy-2-nitroethenyl]benzene

C9H9NO3 — CID 134895060

IUPAC[(Z)-1-methoxy-2-nitroethenyl]benzene
SMILESCO/C(=C\[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C9H9NO3/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyQELCEMZIUZEFKZ-CLFYSBASSA-N
MW179.17 g/mol
LogP1.91
Rot. Bonds3

About [(Z)-1-methoxy-2-nitroethenyl]benzene

[(Z)-1-methoxy-2-nitroethenyl]benzene (PubChem CID 134895060) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is [(Z)-1-methoxy-2-nitroethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-methoxy-2-nitroethenyl]benzene
PubChem CID134895060
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name[(Z)-1-methoxy-2-nitroethenyl]benzene
SMILESCO/C(=C\[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C9H9NO3/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKeyQELCEMZIUZEFKZ-CLFYSBASSA-N
XLogP1.91
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
(3-methyl-1-nitrobut-1-en-2-yl)benzene
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N-[(E)-2-nitro-1-phenylethenyl]aniline
CID 11579598
1-methoxybut-1-enylbenzene
CID 69305429
tert-butyl (Z)-3-nitro-2-phenylprop-2-enoate
CID 102392018
1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene
CID 135076100
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
CID 72743571
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
methyl (E)-3-methoxy-3-(3-nitrophenyl)prop-2-enoate
CID 91622412
methoxy-[(Z)-2-(2-methoxy-2-oxoethyl)sulfanyl-2-phenylethenyl]-oxoazanium
CID 142226645
2-methoxy-2-(3-nitrophenyl)ethenol
CID 71420085

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methoxy-2-nitroethenyl]benzene?
The IUPAC name of [(Z)-1-methoxy-2-nitroethenyl]benzene (CID 134895060) is [(Z)-1-methoxy-2-nitroethenyl]benzene.
What is the SMILES notation for [(Z)-1-methoxy-2-nitroethenyl]benzene?
The canonical SMILES for [(Z)-1-methoxy-2-nitroethenyl]benzene is CO/C(=C\[N+](=O)[O-])c1ccccc1.
What is the InChIKey of [(Z)-1-methoxy-2-nitroethenyl]benzene?
The InChIKey is QELCEMZIUZEFKZ-CLFYSBASSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-.
What are the key properties of [(Z)-1-methoxy-2-nitroethenyl]benzene?
[(Z)-1-methoxy-2-nitroethenyl]benzene has a molecular weight of 179.17 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methoxy-2-nitroethenyl]benzene is sourced from PubChem (CID 134895060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).