CID 177052361

C11H10BNO2 — CID 177052361

IUPAC—
SMILES[B]c1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H10BNO2/c12-8-3-1-2-7(6-8)9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5H2,(H,13,14,15)
InChIKeyVWUBVIMZZNRJJX-UHFFFAOYSA-N
MW199.02 g/mol
LogP0.00
Rot. Bonds1

About CID 177052361

CID 177052361 (PubChem CID 177052361) has the molecular formula C11H10BNO2 and a molecular weight of 199.02 g/mol.

Molecular Properties

Compound NameCID 177052361
PubChem CID177052361
Molecular FormulaC11H10BNO2
Molecular Weight199.02 g/mol
Exact Mass199.08
IUPAC Name—
SMILES[B]c1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H10BNO2/c12-8-3-1-2-7(6-8)9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5H2,(H,13,14,15)
InChIKeyVWUBVIMZZNRJJX-UHFFFAOYSA-N
XLogP0.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
CID 164540943
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione
CID 164563335
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182
2-bromo-5-(2,6-dioxopiperidin-3-yl)benzonitrile
CID 171540913
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876

Frequently Asked Questions

What is the IUPAC name of CID 177052361?
The IUPAC name of CID 177052361 (CID 177052361) is not available.
What is the SMILES notation for CID 177052361?
The canonical SMILES for CID 177052361 is [B]c1cccc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of CID 177052361?
The InChIKey is VWUBVIMZZNRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO2/c12-8-3-1-2-7(6-8)9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5H2,(H,13,14,15).
What are the key properties of CID 177052361?
CID 177052361 has a molecular weight of 199.02 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177052361 is sourced from PubChem (CID 177052361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).