CID 123682051

C4H7BO — CID 123682051

IUPAC—
SMILES[B]C1CCC1O
InChIInChI=1S/C4H7BO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2
InChIKeyDZUXPEDSBHGGCX-UHFFFAOYSA-N
MW81.91 g/mol
LogP0.10
Rot. Bonds

About CID 123682051

CID 123682051 (PubChem CID 123682051) has the molecular formula C4H7BO and a molecular weight of 81.91 g/mol.

Molecular Properties

Compound NameCID 123682051
PubChem CID123682051
Molecular FormulaC4H7BO
Molecular Weight81.91 g/mol
Exact Mass82.06
IUPAC Name—
SMILES[B]C1CCC1O
InChIInChI=1S/C4H7BO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2
InChIKeyDZUXPEDSBHGGCX-UHFFFAOYSA-N
XLogP0.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.91
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 123682051 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 123682051?
The IUPAC name of CID 123682051 (CID 123682051) is not available.
What is the SMILES notation for CID 123682051?
The canonical SMILES for CID 123682051 is [B]C1CCC1O.
What is the InChIKey of CID 123682051?
The InChIKey is DZUXPEDSBHGGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2.
What are the key properties of CID 123682051?
CID 123682051 has a molecular weight of 81.91 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123682051 is sourced from PubChem (CID 123682051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).