CID 59553073

C11H8BNO2 — CID 59553073

IUPAC—
SMILES[B]C(=O)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C11H8BNO2/c12-11(15)13-9-5-6-10(14)8-4-2-1-3-7(8)9/h1-6,14H,(H,13,15)
InChIKeyDTLJSCUHOQPFEK-UHFFFAOYSA-N
MW197.00 g/mol
LogP2.25
Rot. Bonds1

About CID 59553073

CID 59553073 (PubChem CID 59553073) has the molecular formula C11H8BNO2 and a molecular weight of 197.00 g/mol.

Molecular Properties

Compound NameCID 59553073
PubChem CID59553073
Molecular FormulaC11H8BNO2
Molecular Weight197.00 g/mol
Exact Mass197.06
IUPAC Name—
SMILES[B]C(=O)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C11H8BNO2/c12-11(15)13-9-5-6-10(14)8-4-2-1-3-7(8)9/h1-6,14H,(H,13,15)
InChIKeyDTLJSCUHOQPFEK-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
4-(methoxyamino)naphthalen-1-ol
CID 87097639
4-(dimethylsulfamoyl)-N-(4-hydroxynaphthalen-1-yl)benzamide
CID 17460385
N-(4-anilinophenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509324
4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide
CID 25468956
2-(2,3-dihydroindol-1-yl)-N-(5-hydroxynaphthalen-1-yl)-2-oxoacetamide
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2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430

Frequently Asked Questions

What is the IUPAC name of CID 59553073?
The IUPAC name of CID 59553073 (CID 59553073) is not available.
What is the SMILES notation for CID 59553073?
The canonical SMILES for CID 59553073 is [B]C(=O)Nc1ccc(O)c2ccccc12.
What is the InChIKey of CID 59553073?
The InChIKey is DTLJSCUHOQPFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BNO2/c12-11(15)13-9-5-6-10(14)8-4-2-1-3-7(8)9/h1-6,14H,(H,13,15).
What are the key properties of CID 59553073?
CID 59553073 has a molecular weight of 197.00 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59553073 is sourced from PubChem (CID 59553073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).