CID 19096493

C4H10BNO — CID 19096493

IUPAC—
SMILES[B]COCN(C)C
InChIInChI=1S/C4H10BNO/c1-6(2)4-7-3-5/h3-4H2,1-2H3
InChIKeyLFEGJVBZQPSTBH-UHFFFAOYSA-N
MW98.94 g/mol
LogP-0.35
Rot. Bonds3

About CID 19096493

CID 19096493 (PubChem CID 19096493) has the molecular formula C4H10BNO and a molecular weight of 98.94 g/mol.

Molecular Properties

Compound NameCID 19096493
PubChem CID19096493
Molecular FormulaC4H10BNO
Molecular Weight98.94 g/mol
Exact Mass99.09
IUPAC Name—
SMILES[B]COCN(C)C
InChIInChI=1S/C4H10BNO/c1-6(2)4-7-3-5/h3-4H2,1-2H3
InChIKeyLFEGJVBZQPSTBH-UHFFFAOYSA-N
XLogP-0.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.94
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19096493?
The IUPAC name of CID 19096493 (CID 19096493) is not available.
What is the SMILES notation for CID 19096493?
The canonical SMILES for CID 19096493 is [B]COCN(C)C.
What is the InChIKey of CID 19096493?
The InChIKey is LFEGJVBZQPSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BNO/c1-6(2)4-7-3-5/h3-4H2,1-2H3.
What are the key properties of CID 19096493?
CID 19096493 has a molecular weight of 98.94 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19096493 is sourced from PubChem (CID 19096493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).