CID 171103061

C8H10BNO — CID 171103061

IUPAC—
SMILES[B]c1ccc(NC)cc1OC
InChIInChI=1S/C8H10BNO/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,10H,1-2H3
InChIKeyDZFFNRKZIPZQJB-UHFFFAOYSA-N
MW146.99 g/mol
LogP0.53
Rot. Bonds2

About CID 171103061

CID 171103061 (PubChem CID 171103061) has the molecular formula C8H10BNO and a molecular weight of 146.99 g/mol.

Molecular Properties

Compound NameCID 171103061
PubChem CID171103061
Molecular FormulaC8H10BNO
Molecular Weight146.99 g/mol
Exact Mass147.09
IUPAC Name—
SMILES[B]c1ccc(NC)cc1OC
InChIInChI=1S/C8H10BNO/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,10H,1-2H3
InChIKeyDZFFNRKZIPZQJB-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.99
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 171103061?
The IUPAC name of CID 171103061 (CID 171103061) is not available.
What is the SMILES notation for CID 171103061?
The canonical SMILES for CID 171103061 is [B]c1ccc(NC)cc1OC.
What is the InChIKey of CID 171103061?
The InChIKey is DZFFNRKZIPZQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,10H,1-2H3.
What are the key properties of CID 171103061?
CID 171103061 has a molecular weight of 146.99 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171103061 is sourced from PubChem (CID 171103061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).