N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

C15H18N2O2 — CID 822150

IUPACN-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
SMILESCOc1ccc(/C=C2\C(=NO)C3CCN2CC3)cc1
InChIInChI=1S/C15H18N2O2/c1-19-13-4-2-11(3-5-13)10-14-15(16-18)12-6-8-17(14)9-7-12/h2-5,10,12,18H,6-9H2,1H3/b14-10+,16-15?
InChIKeyGPVWFCAJCLWTPF-SJBAMFKLSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds2

About N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine (PubChem CID 822150) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
PubChem CID822150
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
SMILESCOc1ccc(/C=C2\C(=NO)C3CCN2CC3)cc1
InChIInChI=1S/C15H18N2O2/c1-19-13-4-2-11(3-5-13)10-14-15(16-18)12-6-8-17(14)9-7-12/h2-5,10,12,18H,6-9H2,1H3/b14-10+,16-15?
InChIKeyGPVWFCAJCLWTPF-SJBAMFKLSA-N
XLogP2.59
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The IUPAC name of N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine (CID 822150) is N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is COc1ccc(/C=C2\C(=NO)C3CCN2CC3)cc1.
What is the InChIKey of N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The InChIKey is GPVWFCAJCLWTPF-SJBAMFKLSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-13-4-2-11(3-5-13)10-14-15(16-18)12-6-8-17(14)9-7-12/h2-5,10,12,18H,6-9H2,1H3/b14-10+,16-15?.
What are the key properties of N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine has a molecular weight of 258.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is sourced from PubChem (CID 822150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).