CID 134985724

C10H16BN2 — CID 134985724

IUPAC—
SMILESCCN([B]Nc1ccccc1)CC
InChIInChI=1S/C10H16BN2/c1-3-13(4-2)11-12-10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKeyRISLMRGCTZMHJZ-UHFFFAOYSA-N
MW175.06 g/mol
LogP1.97
Rot. Bonds5

About CID 134985724

CID 134985724 (PubChem CID 134985724) has the molecular formula C10H16BN2 and a molecular weight of 175.06 g/mol.

Molecular Properties

Compound NameCID 134985724
PubChem CID134985724
Molecular FormulaC10H16BN2
Molecular Weight175.06 g/mol
Exact Mass175.14
IUPAC Name—
SMILESCCN([B]Nc1ccccc1)CC
InChIInChI=1S/C10H16BN2/c1-3-13(4-2)11-12-10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKeyRISLMRGCTZMHJZ-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 51.97
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 134985724?
The IUPAC name of CID 134985724 (CID 134985724) is not available.
What is the SMILES notation for CID 134985724?
The canonical SMILES for CID 134985724 is CCN([B]Nc1ccccc1)CC.
What is the InChIKey of CID 134985724?
The InChIKey is RISLMRGCTZMHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BN2/c1-3-13(4-2)11-12-10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3.
What are the key properties of CID 134985724?
CID 134985724 has a molecular weight of 175.06 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134985724 is sourced from PubChem (CID 134985724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).