1-hex-1-enyl-3-nitrobenzene

C12H15NO2 — CID 54569294

IUPAC1-hex-1-enyl-3-nitrobenzene
SMILESCCCCC=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3
InChIKeyZWCMTQHOVJQPKU-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.80
Rot. Bonds5

About 1-hex-1-enyl-3-nitrobenzene

1-hex-1-enyl-3-nitrobenzene (PubChem CID 54569294) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-hex-1-enyl-3-nitrobenzene.

Molecular Properties

Compound Name1-hex-1-enyl-3-nitrobenzene
PubChem CID54569294
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-hex-1-enyl-3-nitrobenzene
SMILESCCCCC=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3
InChIKeyZWCMTQHOVJQPKU-UHFFFAOYSA-N
XLogP3.80
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

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CID 11395996
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(E)-3-(3-nitrophenyl)prop-2-en-1-amine
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3-(3-nitrophenyl)prop-2-en-1-ol
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1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
1-[(E)-6-(3-nitrophenyl)hex-5-enyl]-1,2,4-triazole
CID 10492403
(Z)-N-dodecyl-3-(3-nitrophenyl)prop-2-enamide
CID 22301701
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
4-nitro-1-[4-nitro-2-[(E)-oct-1-enyl]phenyl]-2-[(E)-oct-1-enyl]benzene
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(E)-N-(butylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17176351
N-[3-(3-nitrophenyl)prop-2-enyl]cyclopropanamine
CID 79347711

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-enyl-3-nitrobenzene?
The IUPAC name of 1-hex-1-enyl-3-nitrobenzene (CID 54569294) is 1-hex-1-enyl-3-nitrobenzene.
What is the SMILES notation for 1-hex-1-enyl-3-nitrobenzene?
The canonical SMILES for 1-hex-1-enyl-3-nitrobenzene is CCCCC=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-hex-1-enyl-3-nitrobenzene?
The InChIKey is ZWCMTQHOVJQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3.
What are the key properties of 1-hex-1-enyl-3-nitrobenzene?
1-hex-1-enyl-3-nitrobenzene has a molecular weight of 205.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-enyl-3-nitrobenzene is sourced from PubChem (CID 54569294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).