CID 160792893

C7H13B2NO2 — CID 160792893

IUPAC—
SMILES[B]C(=O)CCN(C)C.[B]C(C)=O
InChIInChI=1S/C5H10BNO.C2H3BO/c1-7(2)4-3-5(6)8;1-2(3)4/h3-4H2,1-2H3;1H3
InChIKeyKMCRGEFDTOXTND-UHFFFAOYSA-N
MW164.81 g/mol
LogP-0.67
Rot. Bonds3

About CID 160792893

CID 160792893 (PubChem CID 160792893) has the molecular formula C7H13B2NO2 and a molecular weight of 164.81 g/mol.

Molecular Properties

Compound NameCID 160792893
PubChem CID160792893
Molecular FormulaC7H13B2NO2
Molecular Weight164.81 g/mol
Exact Mass165.11
IUPAC Name—
SMILES[B]C(=O)CCN(C)C.[B]C(C)=O
InChIInChI=1S/C5H10BNO.C2H3BO/c1-7(2)4-3-5(6)8;1-2(3)4/h3-4H2,1-2H3;1H3
InChIKeyKMCRGEFDTOXTND-UHFFFAOYSA-N
XLogP-0.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.81
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 160792893?
The IUPAC name of CID 160792893 (CID 160792893) is not available.
What is the SMILES notation for CID 160792893?
The canonical SMILES for CID 160792893 is [B]C(=O)CCN(C)C.[B]C(C)=O.
What is the InChIKey of CID 160792893?
The InChIKey is KMCRGEFDTOXTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO.C2H3BO/c1-7(2)4-3-5(6)8;1-2(3)4/h3-4H2,1-2H3;1H3.
What are the key properties of CID 160792893?
CID 160792893 has a molecular weight of 164.81 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160792893 is sourced from PubChem (CID 160792893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).