CID 154666148

C11H14BNO2 — CID 154666148

IUPAC—
SMILES[B]c1ccnc(C(C)(C)COC(C)=O)c1
InChIInChI=1S/C11H14BNO2/c1-8(14)15-7-11(2,3)10-6-9(12)4-5-13-10/h4-6H,7H2,1-3H3
InChIKeyRXXGXIQQFWGRJL-UHFFFAOYSA-N
MW203.05 g/mol
LogP0.72
Rot. Bonds3

About CID 154666148

CID 154666148 (PubChem CID 154666148) has the molecular formula C11H14BNO2 and a molecular weight of 203.05 g/mol.

Molecular Properties

Compound NameCID 154666148
PubChem CID154666148
Molecular FormulaC11H14BNO2
Molecular Weight203.05 g/mol
Exact Mass203.11
IUPAC Name—
SMILES[B]c1ccnc(C(C)(C)COC(C)=O)c1
InChIInChI=1S/C11H14BNO2/c1-8(14)15-7-11(2,3)10-6-9(12)4-5-13-10/h4-6H,7H2,1-3H3
InChIKeyRXXGXIQQFWGRJL-UHFFFAOYSA-N
XLogP0.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 50.72
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 154666148?
The IUPAC name of CID 154666148 (CID 154666148) is not available.
What is the SMILES notation for CID 154666148?
The canonical SMILES for CID 154666148 is [B]c1ccnc(C(C)(C)COC(C)=O)c1.
What is the InChIKey of CID 154666148?
The InChIKey is RXXGXIQQFWGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BNO2/c1-8(14)15-7-11(2,3)10-6-9(12)4-5-13-10/h4-6H,7H2,1-3H3.
What are the key properties of CID 154666148?
CID 154666148 has a molecular weight of 203.05 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154666148 is sourced from PubChem (CID 154666148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).