CID 66827885

C11H14BN2O2 — CID 66827885

IUPAC—
SMILESCO[B]N1CCc2cc(NC(C)=O)ccc21
InChIInChI=1S/C11H14BN2O2/c1-8(15)13-10-3-4-11-9(7-10)5-6-14(11)12-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyUBWIOKDUCGOUJL-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.19
Rot. Bonds3

About CID 66827885

CID 66827885 (PubChem CID 66827885) has the molecular formula C11H14BN2O2 and a molecular weight of 217.06 g/mol.

Molecular Properties

Compound NameCID 66827885
PubChem CID66827885
Molecular FormulaC11H14BN2O2
Molecular Weight217.06 g/mol
Exact Mass217.11
IUPAC Name—
SMILESCO[B]N1CCc2cc(NC(C)=O)ccc21
InChIInChI=1S/C11H14BN2O2/c1-8(15)13-10-3-4-11-9(7-10)5-6-14(11)12-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyUBWIOKDUCGOUJL-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.19
H-Bond Donors ≤ 51
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 66827885?
The IUPAC name of CID 66827885 (CID 66827885) is not available.
What is the SMILES notation for CID 66827885?
The canonical SMILES for CID 66827885 is CO[B]N1CCc2cc(NC(C)=O)ccc21.
What is the InChIKey of CID 66827885?
The InChIKey is UBWIOKDUCGOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN2O2/c1-8(15)13-10-3-4-11-9(7-10)5-6-14(11)12-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,15).
What are the key properties of CID 66827885?
CID 66827885 has a molecular weight of 217.06 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66827885 is sourced from PubChem (CID 66827885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).