N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine

C16H17NO — CID 88828717

IUPACN-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine
SMILESONCC1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C16H17NO/c18-17-11-15-10-13-6-2-1-5-12(13)9-14-7-3-4-8-16(14)15/h1-8,15,17-18H,9-11H2
InChIKeyUJFWJRPQOGBYFV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.90
Rot. Bonds2

About N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine

N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine (PubChem CID 88828717) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine.

Molecular Properties

Compound NameN-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine
PubChem CID88828717
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine
SMILESONCC1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C16H17NO/c18-17-11-15-10-13-6-2-1-5-12(13)9-14-7-3-4-8-16(14)15/h1-8,15,17-18H,9-11H2
InChIKeyUJFWJRPQOGBYFV-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine?
The IUPAC name of N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine (CID 88828717) is N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine.
What is the SMILES notation for N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine?
The canonical SMILES for N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine is ONCC1Cc2ccccc2Cc2ccccc21.
What is the InChIKey of N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine?
The InChIKey is UJFWJRPQOGBYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-17-11-15-10-13-6-2-1-5-12(13)9-14-7-3-4-8-16(14)15/h1-8,15,17-18H,9-11H2.
What are the key properties of N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine?
N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine has a molecular weight of 239.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine is sourced from PubChem (CID 88828717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).