1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene

C17H15NO2 — CID 79971024

IUPAC1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene
SMILESO=[N+]([O-])/C(=C/c1ccccc1C1CC1)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-18(20)17(14-6-2-1-3-7-14)12-15-8-4-5-9-16(15)13-10-11-13/h1-9,12-13H,10-11H2/b17-12+
InChIKeyJNRRGVTVAUJLIH-SFQUDFHCSA-N
MW265.31 g/mol
LogP4.34
Rot. Bonds4

About 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene

1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene (PubChem CID 79971024) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene
PubChem CID79971024
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene
SMILESO=[N+]([O-])/C(=C/c1ccccc1C1CC1)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-18(20)17(14-6-2-1-3-7-14)12-15-8-4-5-9-16(15)13-10-11-13/h1-9,12-13H,10-11H2/b17-12+
InChIKeyJNRRGVTVAUJLIH-SFQUDFHCSA-N
XLogP4.34
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.34
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene?
The IUPAC name of 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene (CID 79971024) is 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene.
What is the SMILES notation for 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene?
The canonical SMILES for 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene is O=[N+]([O-])/C(=C/c1ccccc1C1CC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene?
The InChIKey is JNRRGVTVAUJLIH-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H15NO2/c19-18(20)17(14-6-2-1-3-7-14)12-15-8-4-5-9-16(15)13-10-11-13/h1-9,12-13H,10-11H2/b17-12+.
What are the key properties of 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene?
1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene has a molecular weight of 265.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene is sourced from PubChem (CID 79971024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).