CID 88970285

C5H11BN2 — CID 88970285

IUPAC—
SMILES[B]N1CCCC(N)C1
InChIInChI=1S/C5H11BN2/c6-8-3-1-2-5(7)4-8/h5H,1-4,7H2
InChIKeyDYYDSXCLJILXIK-UHFFFAOYSA-N
MW109.97 g/mol
LogP-0.51
Rot. Bonds

About CID 88970285

CID 88970285 (PubChem CID 88970285) has the molecular formula C5H11BN2 and a molecular weight of 109.97 g/mol.

Molecular Properties

Compound NameCID 88970285
PubChem CID88970285
Molecular FormulaC5H11BN2
Molecular Weight109.97 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[B]N1CCCC(N)C1
InChIInChI=1S/C5H11BN2/c6-8-3-1-2-5(7)4-8/h5H,1-4,7H2
InChIKeyDYYDSXCLJILXIK-UHFFFAOYSA-N
XLogP-0.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.97
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 88970285?
The IUPAC name of CID 88970285 (CID 88970285) is not available.
What is the SMILES notation for CID 88970285?
The canonical SMILES for CID 88970285 is [B]N1CCCC(N)C1.
What is the InChIKey of CID 88970285?
The InChIKey is DYYDSXCLJILXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN2/c6-8-3-1-2-5(7)4-8/h5H,1-4,7H2.
What are the key properties of CID 88970285?
CID 88970285 has a molecular weight of 109.97 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88970285 is sourced from PubChem (CID 88970285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).