CID 173495711

C4H11BN — CID 173495711

IUPAC—
SMILESC[B]C(C)CN
InChIInChI=1S/C4H11BN/c1-4(3-6)5-2/h4H,3,6H2,1-2H3
InChIKeyZFWCQLQBNFALDG-UHFFFAOYSA-N
MW83.95 g/mol
LogP0.51
Rot. Bonds2

About CID 173495711

CID 173495711 (PubChem CID 173495711) has the molecular formula C4H11BN and a molecular weight of 83.95 g/mol.

Molecular Properties

Compound NameCID 173495711
PubChem CID173495711
Molecular FormulaC4H11BN
Molecular Weight83.95 g/mol
Exact Mass84.10
IUPAC Name—
SMILESC[B]C(C)CN
InChIInChI=1S/C4H11BN/c1-4(3-6)5-2/h4H,3,6H2,1-2H3
InChIKeyZFWCQLQBNFALDG-UHFFFAOYSA-N
XLogP0.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.95
LogP ≤ 50.51
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 173495711?
The IUPAC name of CID 173495711 (CID 173495711) is not available.
What is the SMILES notation for CID 173495711?
The canonical SMILES for CID 173495711 is C[B]C(C)CN.
What is the InChIKey of CID 173495711?
The InChIKey is ZFWCQLQBNFALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BN/c1-4(3-6)5-2/h4H,3,6H2,1-2H3.
What are the key properties of CID 173495711?
CID 173495711 has a molecular weight of 83.95 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173495711 is sourced from PubChem (CID 173495711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).