Trihydro(4-phenylmorpholine-N4)boron

C10H17BNO+ — CID 90476637

IUPAC—
SMILES[B][N+]1(C2CC=CCC2)CCOCC1
InChIInChI=1S/C10H17BNO/c11-12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-2,10H,3-9H2/q+1
InChIKeyNHIZVLFPBWJABN-UHFFFAOYSA-N
MW178.06 g/mol
LogP1.03
Rot. Bonds1

About Trihydro(4-phenylmorpholine-N4)boron

Trihydro(4-phenylmorpholine-N4)boron (PubChem CID 90476637) has the molecular formula C10H17BNO+ and a molecular weight of 178.06 g/mol.

Molecular Properties

Compound NameTrihydro(4-phenylmorpholine-N4)boron
PubChem CID90476637
Molecular FormulaC10H17BNO+
Molecular Weight178.06 g/mol
Exact Mass178.14
IUPAC Name—
SMILES[B][N+]1(C2CC=CCC2)CCOCC1
InChIInChI=1S/C10H17BNO/c11-12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-2,10H,3-9H2/q+1
InChIKeyNHIZVLFPBWJABN-UHFFFAOYSA-N
XLogP1.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Trihydro(4-phenylmorpholine-N4)boron?
The IUPAC name of Trihydro(4-phenylmorpholine-N4)boron (CID 90476637) is not available.
What is the SMILES notation for Trihydro(4-phenylmorpholine-N4)boron?
The canonical SMILES for Trihydro(4-phenylmorpholine-N4)boron is [B][N+]1(C2CC=CCC2)CCOCC1.
What is the InChIKey of Trihydro(4-phenylmorpholine-N4)boron?
The InChIKey is NHIZVLFPBWJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BNO/c11-12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-2,10H,3-9H2/q+1.
What are the key properties of Trihydro(4-phenylmorpholine-N4)boron?
Trihydro(4-phenylmorpholine-N4)boron has a molecular weight of 178.06 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Trihydro(4-phenylmorpholine-N4)boron is sourced from PubChem (CID 90476637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).