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

C15H20N2O2 — CID 6284102

IUPAC(NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
SMILESCOc1ccccc1CC1/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+
InChIKeyZJKDSJQSAHGPTC-FOCLMDBBSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds3

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

(NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine (PubChem CID 6284102) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
PubChem CID6284102
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
SMILESCOc1ccccc1CC1/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+
InChIKeyZJKDSJQSAHGPTC-FOCLMDBBSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine (CID 6284102) is (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is COc1ccccc1CC1/C(=N/O)C2CCN1CC2.
What is the InChIKey of (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
The InChIKey is ZJKDSJQSAHGPTC-FOCLMDBBSA-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+.
What are the key properties of (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine?
(NE)-N-[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 (NE)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is sourced from PubChem (CID 6284102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).