CID 90903151

C7H11B — CID 90903151

IUPAC—
SMILES[B]C(C)C1CC2CC21
InChIInChI=1S/C7H11B/c1-4(8)6-2-5-3-7(5)6/h4-7H,2-3H2,1H3
InChIKeyYOSBDGGCNWYSML-UHFFFAOYSA-N
MW105.98 g/mol
LogP1.62
Rot. Bonds1

About CID 90903151

CID 90903151 (PubChem CID 90903151) has the molecular formula C7H11B and a molecular weight of 105.98 g/mol.

Molecular Properties

Compound NameCID 90903151
PubChem CID90903151
Molecular FormulaC7H11B
Molecular Weight105.98 g/mol
Exact Mass106.10
IUPAC Name—
SMILES[B]C(C)C1CC2CC21
InChIInChI=1S/C7H11B/c1-4(8)6-2-5-3-7(5)6/h4-7H,2-3H2,1H3
InChIKeyYOSBDGGCNWYSML-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.98
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 90903151 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 90903151?
The IUPAC name of CID 90903151 (CID 90903151) is not available.
What is the SMILES notation for CID 90903151?
The canonical SMILES for CID 90903151 is [B]C(C)C1CC2CC21.
What is the InChIKey of CID 90903151?
The InChIKey is YOSBDGGCNWYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11B/c1-4(8)6-2-5-3-7(5)6/h4-7H,2-3H2,1H3.
What are the key properties of CID 90903151?
CID 90903151 has a molecular weight of 105.98 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90903151 is sourced from PubChem (CID 90903151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).