(NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

C15H20N2O2 — CID 5415188

IUPAC(NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
SMILESCOc1ccccc1C[C@@H]1/C(=N\O)C2CCN1CC2
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)10-13-15(16-18)11-6-8-17(13)9-7-11/h2-5,11,13,18H,6-10H2,1H3/b16-15-/t13-/m1/s1
InChIKeyZJKDSJQSAHGPTC-JFVSRZABSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds3

About (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

(NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine (PubChem CID 5415188) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
PubChem CID5415188
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
SMILESCOc1ccccc1C[C@@H]1/C(=N\O)C2CCN1CC2
InChIInChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)10-13-15(16-18)11-6-8-17(13)9-7-11/h2-5,11,13,18H,6-10H2,1H3/b16-15-/t13-/m1/s1
InChIKeyZJKDSJQSAHGPTC-JFVSRZABSA-N
XLogP2.16
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
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'}

Analyze (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine with MolForge

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Related Compounds

N-[(2S)-2-[(2-methoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
CID 1391256
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
1-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 94805864
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine (CID 5415188) is (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is COc1ccccc1C[C@@H]1/C(=N\O)C2CCN1CC2.
What is the InChIKey of (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The InChIKey is ZJKDSJQSAHGPTC-JFVSRZABSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-5-3-2-4-12(14)10-13-15(16-18)11-6-8-17(13)9-7-11/h2-5,11,13,18H,6-10H2,1H3/b16-15-/t13-/m1/s1.
What are the key properties of (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
(NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R)-2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is sourced from PubChem (CID 5415188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).