CID 20667243

C3H10BNO+ — CID 20667243

IUPAC—
SMILESC[N+](C)(C)[B]O
InChIInChI=1S/C3H10BNO/c1-5(2,3)4-6/h6H,1-3H3/q+1
InChIKeyYZSNRCHLKLORLU-UHFFFAOYSA-N
MW86.93 g/mol
LogP-0.78
Rot. Bonds1

About CID 20667243

CID 20667243 (PubChem CID 20667243) has the molecular formula C3H10BNO+ and a molecular weight of 86.93 g/mol.

Molecular Properties

Compound NameCID 20667243
PubChem CID20667243
Molecular FormulaC3H10BNO+
Molecular Weight86.93 g/mol
Exact Mass87.08
IUPAC Name—
SMILESC[N+](C)(C)[B]O
InChIInChI=1S/C3H10BNO/c1-5(2,3)4-6/h6H,1-3H3/q+1
InChIKeyYZSNRCHLKLORLU-UHFFFAOYSA-N
XLogP-0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.93
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 20667243?
The IUPAC name of CID 20667243 (CID 20667243) is not available.
What is the SMILES notation for CID 20667243?
The canonical SMILES for CID 20667243 is C[N+](C)(C)[B]O.
What is the InChIKey of CID 20667243?
The InChIKey is YZSNRCHLKLORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10BNO/c1-5(2,3)4-6/h6H,1-3H3/q+1.
What are the key properties of CID 20667243?
CID 20667243 has a molecular weight of 86.93 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20667243 is sourced from PubChem (CID 20667243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).