1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene

C15H15NO3 — CID 898089

IUPAC1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene
SMILESCC(C)Oc1ccc2ccccc2c1/C=C/[N+](=O)[O-]
InChIInChI=1S/C15H15NO3/c1-11(2)19-15-8-7-12-5-3-4-6-13(12)14(15)9-10-16(17)18/h3-11H,1-2H3/b10-9+
InChIKeyIBHXMGBSIYJPHF-MDZDMXLPSA-N
MW257.29 g/mol
LogP3.87
Rot. Bonds4

About 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene

1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene (PubChem CID 898089) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene.

Molecular Properties

Compound Name1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene
PubChem CID898089
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene
SMILESCC(C)Oc1ccc2ccccc2c1/C=C/[N+](=O)[O-]
InChIInChI=1S/C15H15NO3/c1-11(2)19-15-8-7-12-5-3-4-6-13(12)14(15)9-10-16(17)18/h3-11H,1-2H3/b10-9+
InChIKeyIBHXMGBSIYJPHF-MDZDMXLPSA-N
XLogP3.87
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene?
The IUPAC name of 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene (CID 898089) is 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene.
What is the SMILES notation for 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene?
The canonical SMILES for 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene is CC(C)Oc1ccc2ccccc2c1/C=C/[N+](=O)[O-].
What is the InChIKey of 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene?
The InChIKey is IBHXMGBSIYJPHF-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11(2)19-15-8-7-12-5-3-4-6-13(12)14(15)9-10-16(17)18/h3-11H,1-2H3/b10-9+.
What are the key properties of 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene?
1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene has a molecular weight of 257.29 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-nitroethenyl]-2-propan-2-yloxynaphthalene is sourced from PubChem (CID 898089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).