CID 90143310

C4H6BNO2 — CID 90143310

IUPAC—
SMILES[B]NC1CCOC1=O
InChIInChI=1S/C4H6BNO2/c5-6-3-1-2-8-4(3)7/h3,6H,1-2H2
InChIKeyNWVJCAKCLLBTRK-UHFFFAOYSA-N
MW110.91 g/mol
LogP-1.02
Rot. Bonds1

About CID 90143310

CID 90143310 (PubChem CID 90143310) has the molecular formula C4H6BNO2 and a molecular weight of 110.91 g/mol.

Molecular Properties

Compound NameCID 90143310
PubChem CID90143310
Molecular FormulaC4H6BNO2
Molecular Weight110.91 g/mol
Exact Mass111.05
IUPAC Name—
SMILES[B]NC1CCOC1=O
InChIInChI=1S/C4H6BNO2/c5-6-3-1-2-8-4(3)7/h3,6H,1-2H2
InChIKeyNWVJCAKCLLBTRK-UHFFFAOYSA-N
XLogP-1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.91
LogP ≤ 5-1.02
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 90143310?
The IUPAC name of CID 90143310 (CID 90143310) is not available.
What is the SMILES notation for CID 90143310?
The canonical SMILES for CID 90143310 is [B]NC1CCOC1=O.
What is the InChIKey of CID 90143310?
The InChIKey is NWVJCAKCLLBTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BNO2/c5-6-3-1-2-8-4(3)7/h3,6H,1-2H2.
What are the key properties of CID 90143310?
CID 90143310 has a molecular weight of 110.91 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90143310 is sourced from PubChem (CID 90143310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).