1-(1-methylselanylbut-3-enyl)-4-nitrobenzene

C11H13NO2Se — CID 15635519

IUPAC1-(1-methylselanylbut-3-enyl)-4-nitrobenzene
SMILESC=CCC([Se]C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO2Se/c1-3-4-11(15-2)9-5-7-10(8-6-9)12(13)14/h3,5-8,11H,1,4H2,2H3
InChIKeyNLFPETYIVCCCMJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP2.96
Rot. Bonds5

About 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene

1-(1-methylselanylbut-3-enyl)-4-nitrobenzene (PubChem CID 15635519) has the molecular formula C11H13NO2Se and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-(1-methylselanylbut-3-enyl)-4-nitrobenzene
PubChem CID15635519
Molecular FormulaC11H13NO2Se
Molecular Weight270.19 g/mol
Exact Mass271.01
IUPAC Name1-(1-methylselanylbut-3-enyl)-4-nitrobenzene
SMILESC=CCC([Se]C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO2Se/c1-3-4-11(15-2)9-5-7-10(8-6-9)12(13)14/h3,5-8,11H,1,4H2,2H3
InChIKeyNLFPETYIVCCCMJ-UHFFFAOYSA-N
XLogP2.96
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(4-nitrophenyl)but-3-en-1-amine
CID 10821570
1-(1-iodoethyl)-4-nitrobenzene
CID 16663559
3-(4-nitrophenyl)-1-pyrrol-1-ylhex-5-en-1-one
CID 102029675
2,4-dinitro-1-pent-4-en-2-ylbenzene
CID 101449695
(1R,2S)-2-ethyl-1-(4-nitrophenyl)but-3-en-1-ol
CID 135038738
3-(4-nitrophenyl)pent-4-en-2-one
CID 70533360
(1S,2S)-2-methyl-1-(4-nitrophenyl)but-3-en-1-amine
CID 102374995
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
ethoxyethane;1-(1-fluoroprop-2-enyl)-4-(4-nitrophenyl)benzene
CID 70420834
(E,1S)-4-iodo-1-(4-nitrophenyl)but-3-en-1-ol
CID 125476357
1-hept-4-en-2-yl-4-nitrobenzene
CID 143531546
(3R)-3-hydroxy-3-(4-nitrophenyl)propanal
CID 154717001

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene?
The IUPAC name of 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene (CID 15635519) is 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene.
What is the SMILES notation for 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene?
The canonical SMILES for 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene is C=CCC([Se]C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene?
The InChIKey is NLFPETYIVCCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2Se/c1-3-4-11(15-2)9-5-7-10(8-6-9)12(13)14/h3,5-8,11H,1,4H2,2H3.
What are the key properties of 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene?
1-(1-methylselanylbut-3-enyl)-4-nitrobenzene has a molecular weight of 270.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylselanylbut-3-enyl)-4-nitrobenzene is sourced from PubChem (CID 15635519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).