CID 157469443

C11H22BNO — CID 157469443

IUPAC—
SMILES[B][C@@H]1O[C@@](CC)(CCCN)C(C)[C@@H]1C
InChIInChI=1S/C11H22BNO/c1-4-11(6-5-7-13)9(3)8(2)10(12)14-11/h8-10H,4-7,13H2,1-3H3/t8-,9?,10+,11-/m0/s1
InChIKeyDLWRVRBZIPAUTD-CSVZZBGZSA-N
MW195.11 g/mol
LogP1.67
Rot. Bonds4

About CID 157469443

CID 157469443 (PubChem CID 157469443) has the molecular formula C11H22BNO and a molecular weight of 195.11 g/mol.

Molecular Properties

Compound NameCID 157469443
PubChem CID157469443
Molecular FormulaC11H22BNO
Molecular Weight195.11 g/mol
Exact Mass195.18
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CC)(CCCN)C(C)[C@@H]1C
InChIInChI=1S/C11H22BNO/c1-4-11(6-5-7-13)9(3)8(2)10(12)14-11/h8-10H,4-7,13H2,1-3H3/t8-,9?,10+,11-/m0/s1
InChIKeyDLWRVRBZIPAUTD-CSVZZBGZSA-N
XLogP1.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 157469443 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 157469443?
The IUPAC name of CID 157469443 (CID 157469443) is not available.
What is the SMILES notation for CID 157469443?
The canonical SMILES for CID 157469443 is [B][C@@H]1O[C@@](CC)(CCCN)C(C)[C@@H]1C.
What is the InChIKey of CID 157469443?
The InChIKey is DLWRVRBZIPAUTD-CSVZZBGZSA-N. The full InChI is InChI=1S/C11H22BNO/c1-4-11(6-5-7-13)9(3)8(2)10(12)14-11/h8-10H,4-7,13H2,1-3H3/t8-,9?,10+,11-/m0/s1.
What are the key properties of CID 157469443?
CID 157469443 has a molecular weight of 195.11 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157469443 is sourced from PubChem (CID 157469443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).