CID 89266323

C11H19BN2O — CID 89266323

IUPAC—
SMILES[B]N1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C11H19BN2O/c1-11(4-8-14(12)9-5-11)13-6-2-10(15)3-7-13/h2-9H2,1H3
InChIKeyASMSCVCQVOSXRZ-UHFFFAOYSA-N
MW206.10 g/mol
LogP0.59
Rot. Bonds1

About CID 89266323

CID 89266323 (PubChem CID 89266323) has the molecular formula C11H19BN2O and a molecular weight of 206.10 g/mol.

Molecular Properties

Compound NameCID 89266323
PubChem CID89266323
Molecular FormulaC11H19BN2O
Molecular Weight206.10 g/mol
Exact Mass206.16
IUPAC Name—
SMILES[B]N1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C11H19BN2O/c1-11(4-8-14(12)9-5-11)13-6-2-10(15)3-7-13/h2-9H2,1H3
InChIKeyASMSCVCQVOSXRZ-UHFFFAOYSA-N
XLogP0.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 89266323 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89266323?
The IUPAC name of CID 89266323 (CID 89266323) is not available.
What is the SMILES notation for CID 89266323?
The canonical SMILES for CID 89266323 is [B]N1CCC(C)(N2CCC(=O)CC2)CC1.
What is the InChIKey of CID 89266323?
The InChIKey is ASMSCVCQVOSXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2O/c1-11(4-8-14(12)9-5-11)13-6-2-10(15)3-7-13/h2-9H2,1H3.
What are the key properties of CID 89266323?
CID 89266323 has a molecular weight of 206.10 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89266323 is sourced from PubChem (CID 89266323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).