1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene

C12H13NO2 — CID 70411002

IUPAC1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])/C=C/C1CCCc2ccccc21
InChIInChI=1S/C12H13NO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7-9,11H,3,5-6H2/b9-8+
InChIKeyKCSKISJFNRAVGA-CMDGGOBGSA-N
MW203.24 g/mol
LogP2.90
Rot. Bonds2

About 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene

1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 70411002) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID70411002
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])/C=C/C1CCCc2ccccc21
InChIInChI=1S/C12H13NO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7-9,11H,3,5-6H2/b9-8+
InChIKeyKCSKISJFNRAVGA-CMDGGOBGSA-N
XLogP2.90
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.90
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

2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
CID 154243339
[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate
CID 68843407
CID 59863888
CID 59863888
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
(1S)-N-(2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7410620
1-methyl-4-[(Z)-2-nitroethenyl]-3,4-dihydroquinolin-2-one
CID 5380979
(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane
CID 103983683
1,2,3,4-tetrahydronaphthalene-1-sulfinate
CID 68909659
1-nitro-3,4-dihydro-1H-naphthalen-2-one
CID 87514062
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
nitric acid;1,2,3,4-tetrahydronaphthalene
CID 21399469
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene (CID 70411002) is 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene is O=[N+]([O-])/C=C/C1CCCc2ccccc21.
What is the InChIKey of 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KCSKISJFNRAVGA-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H13NO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7-9,11H,3,5-6H2/b9-8+.
What are the key properties of 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene?
1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 203.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 70411002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).