CID 174484838

C3H11BNO — CID 174484838

IUPAC—
SMILESCN(C)C.O.[B]
InChIInChI=1S/C3H9N.B.H2O/c1-4(2)3;;/h1-3H3;;1H2
InChIKeyBQRVHFTVDQOHBR-UHFFFAOYSA-N
MW87.94 g/mol
LogP-1.03
Rot. Bonds

About CID 174484838

CID 174484838 (PubChem CID 174484838) has the molecular formula C3H11BNO and a molecular weight of 87.94 g/mol.

Molecular Properties

Compound NameCID 174484838
PubChem CID174484838
Molecular FormulaC3H11BNO
Molecular Weight87.94 g/mol
Exact Mass88.09
IUPAC Name—
SMILESCN(C)C.O.[B]
InChIInChI=1S/C3H9N.B.H2O/c1-4(2)3;;/h1-3H3;;1H2
InChIKeyBQRVHFTVDQOHBR-UHFFFAOYSA-N
XLogP-1.03
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.94
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
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 174484838?
The IUPAC name of CID 174484838 (CID 174484838) is not available.
What is the SMILES notation for CID 174484838?
The canonical SMILES for CID 174484838 is CN(C)C.O.[B].
What is the InChIKey of CID 174484838?
The InChIKey is BQRVHFTVDQOHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.B.H2O/c1-4(2)3;;/h1-3H3;;1H2.
What are the key properties of CID 174484838?
CID 174484838 has a molecular weight of 87.94 g/mol, XLogP of -1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174484838 is sourced from PubChem (CID 174484838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).