N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine

C24H23NO2 — CID 88918393

IUPACN-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine
SMILESC=C(NO)c1ccc(COC2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C24H23NO2/c1-17(25-26)19-12-10-18(11-13-19)16-27-24-22-8-4-2-6-20(22)14-15-21-7-3-5-9-23(21)24/h2-13,24-26H,1,14-16H2
InChIKeyBJAWZIHJVHFISX-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.04
Rot. Bonds5

About N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine

N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine (PubChem CID 88918393) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine
PubChem CID88918393
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine
SMILESC=C(NO)c1ccc(COC2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C24H23NO2/c1-17(25-26)19-12-10-18(11-13-19)16-27-24-22-8-4-2-6-20(22)14-15-21-7-3-5-9-23(21)24/h2-13,24-26H,1,14-16H2
InChIKeyBJAWZIHJVHFISX-UHFFFAOYSA-N
XLogP5.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine?
The IUPAC name of N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine (CID 88918393) is N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine.
What is the SMILES notation for N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine?
The canonical SMILES for N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine is C=C(NO)c1ccc(COC2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine?
The InChIKey is BJAWZIHJVHFISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-17(25-26)19-12-10-18(11-13-19)16-27-24-22-8-4-2-6-20(22)14-15-21-7-3-5-9-23(21)24/h2-13,24-26H,1,14-16H2.
What are the key properties of N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine?
N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine has a molecular weight of 357.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)phenyl]ethenyl]hydroxylamine is sourced from PubChem (CID 88918393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).