N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine

C14H11FN2O — CID 72631051

IUPACN-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
SMILESON=C1c2cc(F)ccc2CCc2ncccc21
InChIInChI=1S/C14H11FN2O/c15-10-5-3-9-4-6-13-11(2-1-7-16-13)14(17-18)12(9)8-10/h1-3,5,7-8,18H,4,6H2
InChIKeyASYFSKDLZYLMNQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.55
Rot. Bonds

About N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine

N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine (PubChem CID 72631051) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
PubChem CID72631051
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC NameN-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
SMILESON=C1c2cc(F)ccc2CCc2ncccc21
InChIInChI=1S/C14H11FN2O/c15-10-5-3-9-4-6-13-11(2-1-7-16-13)14(17-18)12(9)8-10/h1-3,5,7-8,18H,4,6H2
InChIKeyASYFSKDLZYLMNQ-UHFFFAOYSA-N
XLogP2.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
The IUPAC name of N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine (CID 72631051) is N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
The canonical SMILES for N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine is ON=C1c2cc(F)ccc2CCc2ncccc21.
What is the InChIKey of N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
The InChIKey is ASYFSKDLZYLMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-10-5-3-9-4-6-13-11(2-1-7-16-13)14(17-18)12(9)8-10/h1-3,5,7-8,18H,4,6H2.
What are the key properties of N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine has a molecular weight of 242.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine is sourced from PubChem (CID 72631051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).