CID 174110569

C5H5BINO2 — CID 174110569

IUPAC—
SMILES[B][C@H]1CCC(=O)N(I)C1=O
InChIInChI=1S/C5H5BINO2/c6-3-1-2-4(9)8(7)5(3)10/h3H,1-2H2/t3-/m0/s1
InChIKeyFJCADLVMTAEIBD-VKHMYHEASA-N
MW248.82 g/mol
LogP0.44
Rot. Bonds

About CID 174110569

CID 174110569 (PubChem CID 174110569) has the molecular formula C5H5BINO2 and a molecular weight of 248.82 g/mol.

Molecular Properties

Compound NameCID 174110569
PubChem CID174110569
Molecular FormulaC5H5BINO2
Molecular Weight248.82 g/mol
Exact Mass248.95
IUPAC Name—
SMILES[B][C@H]1CCC(=O)N(I)C1=O
InChIInChI=1S/C5H5BINO2/c6-3-1-2-4(9)8(7)5(3)10/h3H,1-2H2/t3-/m0/s1
InChIKeyFJCADLVMTAEIBD-VKHMYHEASA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.82
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-iodopyrrolidine-2,5-dione
CID 148810679
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
1-iodo-3-sulfanylpyrrolidine-2,5-dione
CID 130374102
CID 89146118
CID 89146118
1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
CID 4714731
6-methyl-1-azabicyclo[3.1.0]hexan-2-one
CID 143719689
CID 144708843
CID 144708843
1-iodo-6-methylpiperidin-2-one
CID 135233240
sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione
CID 175003776
(5R)-5-methyl-1-(methylamino)pyrrolidin-2-one
CID 148786842
(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
1-iodopyrrolidine-2,5-dione;pyridine;trihydrobromide
CID 175123827

Frequently Asked Questions

What is the IUPAC name of CID 174110569?
The IUPAC name of CID 174110569 (CID 174110569) is not available.
What is the SMILES notation for CID 174110569?
The canonical SMILES for CID 174110569 is [B][C@H]1CCC(=O)N(I)C1=O.
What is the InChIKey of CID 174110569?
The InChIKey is FJCADLVMTAEIBD-VKHMYHEASA-N. The full InChI is InChI=1S/C5H5BINO2/c6-3-1-2-4(9)8(7)5(3)10/h3H,1-2H2/t3-/m0/s1.
What are the key properties of CID 174110569?
CID 174110569 has a molecular weight of 248.82 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174110569 is sourced from PubChem (CID 174110569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).