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

C15H21ClN2O2 — CID 6509462

IUPAC(NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride
SMILESCOc1ccccc1CC1/C(=N\O)C2CCN1CC2.Cl
InChIInChI=1S/C15H20N2O2.ClH/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;1H/b16-15-;
InChIKeyPSCREBROFGOHCG-YFKNTREVSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds3

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

(NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride (PubChem CID 6509462) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride
PubChem CID6509462
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride
SMILESCOc1ccccc1CC1/C(=N\O)C2CCN1CC2.Cl
InChIInChI=1S/C15H20N2O2.ClH/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;1H/b16-15-;
InChIKeyPSCREBROFGOHCG-YFKNTREVSA-N
XLogP2.58
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.58
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 (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride (CID 6509462) is (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride is COc1ccccc1CC1/C(=N\O)C2CCN1CC2.Cl.
What is the InChIKey of (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride?
The InChIKey is PSCREBROFGOHCG-YFKNTREVSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/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;1H/b16-15-;.
What are the key properties of (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride?
(NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 6509462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).