CID 174298438

C7H11B2N — CID 174298438

IUPAC—
SMILES[B]C1CCC2(C1)CN([B])C2
InChIInChI=1S/C7H11B2N/c8-6-1-2-7(3-6)4-10(9)5-7/h6H,1-5H2
InChIKeyBJRLQDUUHGDQOQ-UHFFFAOYSA-N
MW130.80 g/mol
LogP0.51
Rot. Bonds

About CID 174298438

CID 174298438 (PubChem CID 174298438) has the molecular formula C7H11B2N and a molecular weight of 130.80 g/mol.

Molecular Properties

Compound NameCID 174298438
PubChem CID174298438
Molecular FormulaC7H11B2N
Molecular Weight130.80 g/mol
Exact Mass131.11
IUPAC Name—
SMILES[B]C1CCC2(C1)CN([B])C2
InChIInChI=1S/C7H11B2N/c8-6-1-2-7(3-6)4-10(9)5-7/h6H,1-5H2
InChIKeyBJRLQDUUHGDQOQ-UHFFFAOYSA-N
XLogP0.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.80
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174298438?
The IUPAC name of CID 174298438 (CID 174298438) is not available.
What is the SMILES notation for CID 174298438?
The canonical SMILES for CID 174298438 is [B]C1CCC2(C1)CN([B])C2.
What is the InChIKey of CID 174298438?
The InChIKey is BJRLQDUUHGDQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11B2N/c8-6-1-2-7(3-6)4-10(9)5-7/h6H,1-5H2.
What are the key properties of CID 174298438?
CID 174298438 has a molecular weight of 130.80 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174298438 is sourced from PubChem (CID 174298438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).