CID 145139140

C5H9B3N2 — CID 145139140

IUPAC—
SMILES[B]C([B])([B])N1CCNCC1
InChIInChI=1S/C5H9B3N2/c6-5(7,8)10-3-1-9-2-4-10/h9H,1-4H2
InChIKeyLDRPFBIJUCFOKO-UHFFFAOYSA-N
MW129.58 g/mol
LogP-1.99
Rot. Bonds1

About CID 145139140

CID 145139140 (PubChem CID 145139140) has the molecular formula C5H9B3N2 and a molecular weight of 129.58 g/mol.

Molecular Properties

Compound NameCID 145139140
PubChem CID145139140
Molecular FormulaC5H9B3N2
Molecular Weight129.58 g/mol
Exact Mass130.10
IUPAC Name—
SMILES[B]C([B])([B])N1CCNCC1
InChIInChI=1S/C5H9B3N2/c6-5(7,8)10-3-1-9-2-4-10/h9H,1-4H2
InChIKeyLDRPFBIJUCFOKO-UHFFFAOYSA-N
XLogP-1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.58
LogP ≤ 5-1.99
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 145139140?
The IUPAC name of CID 145139140 (CID 145139140) is not available.
What is the SMILES notation for CID 145139140?
The canonical SMILES for CID 145139140 is [B]C([B])([B])N1CCNCC1.
What is the InChIKey of CID 145139140?
The InChIKey is LDRPFBIJUCFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9B3N2/c6-5(7,8)10-3-1-9-2-4-10/h9H,1-4H2.
What are the key properties of CID 145139140?
CID 145139140 has a molecular weight of 129.58 g/mol, XLogP of -1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145139140 is sourced from PubChem (CID 145139140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).