CID 22890285

C2H5BN- — CID 22890285

IUPAC—
SMILES[B]N([CH2-])C
InChIInChI=1S/C2H5BN/c1-4(2)3/h1H2,2H3/q-1
InChIKeyDUIVTLUATPNZHM-UHFFFAOYSA-N
MW53.88 g/mol
LogP-0.21
Rot. Bonds

About CID 22890285

CID 22890285 (PubChem CID 22890285) has the molecular formula C2H5BN- and a molecular weight of 53.88 g/mol.

Molecular Properties

Compound NameCID 22890285
PubChem CID22890285
Molecular FormulaC2H5BN-
Molecular Weight53.88 g/mol
Exact Mass54.05
IUPAC Name—
SMILES[B]N([CH2-])C
InChIInChI=1S/C2H5BN/c1-4(2)3/h1H2,2H3/q-1
InChIKeyDUIVTLUATPNZHM-UHFFFAOYSA-N
XLogP-0.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50053.88
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22890285?
The IUPAC name of CID 22890285 (CID 22890285) is not available.
What is the SMILES notation for CID 22890285?
The canonical SMILES for CID 22890285 is [B]N([CH2-])C.
What is the InChIKey of CID 22890285?
The InChIKey is DUIVTLUATPNZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BN/c1-4(2)3/h1H2,2H3/q-1.
What are the key properties of CID 22890285?
CID 22890285 has a molecular weight of 53.88 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22890285 is sourced from PubChem (CID 22890285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).