N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide

C14H18N3O2+ — CID 7340356

IUPACN-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C1\C[NH+]2CCC1CC2)c1cccc(O)c1
InChIInChI=1S/C14H17N3O2/c18-12-3-1-2-11(8-12)14(19)16-15-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,18H,4-7,9H2,(H,16,19)/p+1/b15-13+
InChIKeyUCZUIQCBJLHVBV-FYWRMAATSA-O
MW260.32 g/mol
LogP-0.21
Rot. Bonds2

About N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide

N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide (PubChem CID 7340356) has the molecular formula C14H18N3O2+ and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide
PubChem CID7340356
Molecular FormulaC14H18N3O2+
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C1\C[NH+]2CCC1CC2)c1cccc(O)c1
InChIInChI=1S/C14H17N3O2/c18-12-3-1-2-11(8-12)14(19)16-15-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,18H,4-7,9H2,(H,16,19)/p+1/b15-13+
InChIKeyUCZUIQCBJLHVBV-FYWRMAATSA-O
XLogP-0.21
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide (CID 7340356) is N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide is O=C(N/N=C1\C[NH+]2CCC1CC2)c1cccc(O)c1.
What is the InChIKey of N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide?
The InChIKey is UCZUIQCBJLHVBV-FYWRMAATSA-O. The full InChI is InChI=1S/C14H17N3O2/c18-12-3-1-2-11(8-12)14(19)16-15-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,18H,4-7,9H2,(H,16,19)/p+1/b15-13+.
What are the key properties of N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide?
N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide has a molecular weight of 260.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 7340356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).