1-[(Z)-2-methoxyethenyl]-4-nitrobenzene

C9H9NO3 — CID 12555318

IUPAC1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
SMILESCO/C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-7H,1H3/b7-6-
InChIKeyKGZPCCGLQHHSCZ-SREVYHEPSA-N
MW179.17 g/mol
LogP2.21
Rot. Bonds3

About 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene

1-[(Z)-2-methoxyethenyl]-4-nitrobenzene (PubChem CID 12555318) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
PubChem CID12555318
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
SMILESCO/C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-7H,1H3/b7-6-
InChIKeyKGZPCCGLQHHSCZ-SREVYHEPSA-N
XLogP2.21
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 ≤ 52.21
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

1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene
CID 102067711
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
CID 23271274
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
2-(bromomethyl)-4-[4-(2-methoxyethenyl)phenyl]-1-nitrobenzene
CID 177311632
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene?
The IUPAC name of 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene (CID 12555318) is 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene is CO/C=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene?
The InChIKey is KGZPCCGLQHHSCZ-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-7H,1H3/b7-6-.
What are the key properties of 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene?
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene has a molecular weight of 179.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methoxyethenyl]-4-nitrobenzene is sourced from PubChem (CID 12555318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).