CID 155576926

C11H21BNO — CID 155576926

IUPAC—
SMILESCC(/C=C\C[B]OC(C)C)=N\C(C)C
InChIInChI=1S/C11H21BNO/c1-9(2)13-11(5)7-6-8-12-14-10(3)4/h6-7,9-10H,8H2,1-5H3/b7-6-,13-11+
InChIKeyOAACJHHCWPBFKQ-JOQAGRFJSA-N
MW194.11 g/mol
LogP2.87
Rot. Bonds6

About CID 155576926

CID 155576926 (PubChem CID 155576926) has the molecular formula C11H21BNO and a molecular weight of 194.11 g/mol.

Molecular Properties

Compound NameCID 155576926
PubChem CID155576926
Molecular FormulaC11H21BNO
Molecular Weight194.11 g/mol
Exact Mass194.17
IUPAC Name—
SMILESCC(/C=C\C[B]OC(C)C)=N\C(C)C
InChIInChI=1S/C11H21BNO/c1-9(2)13-11(5)7-6-8-12-14-10(3)4/h6-7,9-10H,8H2,1-5H3/b7-6-,13-11+
InChIKeyOAACJHHCWPBFKQ-JOQAGRFJSA-N
XLogP2.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 155576926 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 155576926?
The IUPAC name of CID 155576926 (CID 155576926) is not available.
What is the SMILES notation for CID 155576926?
The canonical SMILES for CID 155576926 is CC(/C=C\C[B]OC(C)C)=N\C(C)C.
What is the InChIKey of CID 155576926?
The InChIKey is OAACJHHCWPBFKQ-JOQAGRFJSA-N. The full InChI is InChI=1S/C11H21BNO/c1-9(2)13-11(5)7-6-8-12-14-10(3)4/h6-7,9-10H,8H2,1-5H3/b7-6-,13-11+.
What are the key properties of CID 155576926?
CID 155576926 has a molecular weight of 194.11 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155576926 is sourced from PubChem (CID 155576926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).