(NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine

C14H11FN2O — CID 87985679

IUPAC(NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
SMILESO/N=C1\c2cnccc2CCc2c(F)cccc21
InChIInChI=1S/C14H11FN2O/c15-13-3-1-2-11-10(13)5-4-9-6-7-16-8-12(9)14(11)17-18/h1-3,6-8,18H,4-5H2/b17-14-
InChIKeyAKKKKLNVYKVVQW-VKAVYKQESA-N
MW242.25 g/mol
LogP2.55
Rot. Bonds

About (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine

(NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine (PubChem CID 87985679) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
PubChem CID87985679
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name(NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine
SMILESO/N=C1\c2cnccc2CCc2c(F)cccc21
InChIInChI=1S/C14H11FN2O/c15-13-3-1-2-11-10(13)5-4-9-6-7-16-8-12(9)14(11)17-18/h1-3,6-8,18H,4-5H2/b17-14-
InChIKeyAKKKKLNVYKVVQW-VKAVYKQESA-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 (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine (CID 87985679) is (NZ)-N-(12-fluoro-5-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 (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine is O/N=C1\c2cnccc2CCc2c(F)cccc21.
What is the InChIKey of (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
The InChIKey is AKKKKLNVYKVVQW-VKAVYKQESA-N. The full InChI is InChI=1S/C14H11FN2O/c15-13-3-1-2-11-10(13)5-4-9-6-7-16-8-12(9)14(11)17-18/h1-3,6-8,18H,4-5H2/b17-14-.
What are the key properties of (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine?
(NZ)-N-(12-fluoro-5-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 (NZ)-N-(12-fluoro-5-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)hydroxylamine is sourced from PubChem (CID 87985679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).