(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine

C12H14N2O — CID 5383245

IUPAC(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine
SMILESO/N=C1\CCN2CCCc3cccc1c32
InChIInChI=1S/C12H14N2O/c15-13-11-6-8-14-7-2-4-9-3-1-5-10(11)12(9)14/h1,3,5,15H,2,4,6-8H2/b13-11+
InChIKeyYGRYMADANYMNPI-ACCUITESSA-N
MW202.26 g/mol
LogP2.02
Rot. Bonds

About (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine

(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine (PubChem CID 5383245) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine
PubChem CID5383245
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine
SMILESO/N=C1\CCN2CCCc3cccc1c32
InChIInChI=1S/C12H14N2O/c15-13-11-6-8-14-7-2-4-9-3-1-5-10(11)12(9)14/h1,3,5,15H,2,4,6-8H2/b13-11+
InChIKeyYGRYMADANYMNPI-ACCUITESSA-N
XLogP2.02
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.02
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 (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine (CID 5383245) is (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine is O/N=C1\CCN2CCCc3cccc1c32.
What is the InChIKey of (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine?
The InChIKey is YGRYMADANYMNPI-ACCUITESSA-N. The full InChI is InChI=1S/C12H14N2O/c15-13-11-6-8-14-7-2-4-9-3-1-5-10(11)12(9)14/h1,3,5,15H,2,4,6-8H2/b13-11+.
What are the key properties of (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine?
(NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine has a molecular weight of 202.26 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)hydroxylamine is sourced from PubChem (CID 5383245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).