1-ethyl-4-[(E)-2-nitroethenyl]benzene

C10H11NO2 — CID 50853072

IUPAC1-ethyl-4-[(E)-2-nitroethenyl]benzene
SMILESCCc1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H11NO2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3/b8-7+
InChIKeyIZWSBQRAUOSJFM-BQYQJAHWSA-N
MW177.20 g/mol
LogP2.50
Rot. Bonds3

About 1-ethyl-4-[(E)-2-nitroethenyl]benzene

1-ethyl-4-[(E)-2-nitroethenyl]benzene (PubChem CID 50853072) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-nitroethenyl]benzene
PubChem CID50853072
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-ethyl-4-[(E)-2-nitroethenyl]benzene
SMILESCCc1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H11NO2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3/b8-7+
InChIKeyIZWSBQRAUOSJFM-BQYQJAHWSA-N
XLogP2.50
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-4-(2-nitroethenyl)benzene
CID 66707720
1-(methoxymethyl)-4-(2-nitroethenyl)benzene
CID 77098902
N,N-diethyl-4-[(Z)-2-nitroethenyl]aniline
CID 23774723
4-[(Z)-2-nitroethenyl]phenol
CID 15311368
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-(2-nitroethenyl)-4-[4-(2-nitroethenyl)phenyl]sulfonylbenzene
CID 87998421
methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
CID 123531168
4-[(E)-2-nitroethenyl]benzoic acid
CID 7016907
1-(2-nitroethenyl)-4-[2-[2-[2-[4-(2-nitroethenyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 123651558
methyl 4-(2-nitroethenyl)benzenesulfonate
CID 54355882

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-ethyl-4-[(E)-2-nitroethenyl]benzene (CID 50853072) is 1-ethyl-4-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-2-nitroethenyl]benzene is CCc1ccc(/C=C/[N+](=O)[O-])cc1.
What is the InChIKey of 1-ethyl-4-[(E)-2-nitroethenyl]benzene?
The InChIKey is IZWSBQRAUOSJFM-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3/b8-7+.
What are the key properties of 1-ethyl-4-[(E)-2-nitroethenyl]benzene?
1-ethyl-4-[(E)-2-nitroethenyl]benzene has a molecular weight of 177.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 50853072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).