CID 145471686

C11H19BN2O — CID 145471686

IUPAC—
SMILESCC.[B]CC1CCC2C(=O)NC(C)=NC12
InChIInChI=1S/C9H13BN2O.C2H6/c1-5-11-8-6(4-10)2-3-7(8)9(13)12-5;1-2/h6-8H,2-4H2,1H3,(H,11,12,13);1-2H3
InChIKeyDZSASEGYUAUVKI-UHFFFAOYSA-N
MW206.10 g/mol
LogP1.54
Rot. Bonds1

About CID 145471686

CID 145471686 (PubChem CID 145471686) has the molecular formula C11H19BN2O and a molecular weight of 206.10 g/mol.

Molecular Properties

Compound NameCID 145471686
PubChem CID145471686
Molecular FormulaC11H19BN2O
Molecular Weight206.10 g/mol
Exact Mass206.16
IUPAC Name—
SMILESCC.[B]CC1CCC2C(=O)NC(C)=NC12
InChIInChI=1S/C9H13BN2O.C2H6/c1-5-11-8-6(4-10)2-3-7(8)9(13)12-5;1-2/h6-8H,2-4H2,1H3,(H,11,12,13);1-2H3
InChIKeyDZSASEGYUAUVKI-UHFFFAOYSA-N
XLogP1.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 145471686 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 145471686?
The IUPAC name of CID 145471686 (CID 145471686) is not available.
What is the SMILES notation for CID 145471686?
The canonical SMILES for CID 145471686 is CC.[B]CC1CCC2C(=O)NC(C)=NC12.
What is the InChIKey of CID 145471686?
The InChIKey is DZSASEGYUAUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BN2O.C2H6/c1-5-11-8-6(4-10)2-3-7(8)9(13)12-5;1-2/h6-8H,2-4H2,1H3,(H,11,12,13);1-2H3.
What are the key properties of CID 145471686?
CID 145471686 has a molecular weight of 206.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145471686 is sourced from PubChem (CID 145471686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).