1-[(E)-but-1-enyl]-2-nitrobenzene

C10H11NO2 — CID 15667952

IUPAC1-[(E)-but-1-enyl]-2-nitrobenzene
SMILESCC/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h3-8H,2H2,1H3/b6-3+
InChIKeyLIKBRFDYTOUWPY-ZZXKWVIFSA-N
MW177.20 g/mol
LogP3.02
Rot. Bonds3

About 1-[(E)-but-1-enyl]-2-nitrobenzene

1-[(E)-but-1-enyl]-2-nitrobenzene (PubChem CID 15667952) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-2-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-2-nitrobenzene
PubChem CID15667952
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-[(E)-but-1-enyl]-2-nitrobenzene
SMILESCC/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h3-8H,2H2,1H3/b6-3+
InChIKeyLIKBRFDYTOUWPY-ZZXKWVIFSA-N
XLogP3.02
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 ≤ 53.02
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-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
1-(3,3-dimethylpent-1-enyl)-2-nitrobenzene
CID 69429049
dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium
CID 2245026
ethanol;2-nitrobenzaldehyde
CID 175129011
2-[3-(2-nitrophenyl)prop-2-enyl-propylamino]ethanol
CID 2845788
(E)-N-benzyl-N-methyl-3-(2-nitrophenyl)prop-2-en-1-amine
CID 782786
N,N,N',N'-tetrakis[(E)-3-(2-nitrophenyl)prop-2-enyl]octane-1,8-diamine
CID 21188853
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(2S)-2-ethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
CID 757332
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
2-[(E)-3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
CID 15736812
ethane;2-nitrobenzaldehyde
CID 91029364

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-2-nitrobenzene?
The IUPAC name of 1-[(E)-but-1-enyl]-2-nitrobenzene (CID 15667952) is 1-[(E)-but-1-enyl]-2-nitrobenzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-2-nitrobenzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-2-nitrobenzene is CC/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[(E)-but-1-enyl]-2-nitrobenzene?
The InChIKey is LIKBRFDYTOUWPY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h3-8H,2H2,1H3/b6-3+.
What are the key properties of 1-[(E)-but-1-enyl]-2-nitrobenzene?
1-[(E)-but-1-enyl]-2-nitrobenzene has a molecular weight of 177.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-2-nitrobenzene is sourced from PubChem (CID 15667952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).