CID 22943737

C2H4BNO — CID 22943737

IUPAC—
SMILES[B]C(=O)NC
InChIInChI=1S/C2H4BNO/c1-4-2(3)5/h1H3,(H,4,5)
InChIKeyPTBPPMSCOZEHQT-UHFFFAOYSA-N
MW68.87 g/mol
LogP-0.51
Rot. Bonds

About CID 22943737

CID 22943737 (PubChem CID 22943737) has the molecular formula C2H4BNO and a molecular weight of 68.87 g/mol.

Molecular Properties

Compound NameCID 22943737
PubChem CID22943737
Molecular FormulaC2H4BNO
Molecular Weight68.87 g/mol
Exact Mass69.04
IUPAC Name—
SMILES[B]C(=O)NC
InChIInChI=1S/C2H4BNO/c1-4-2(3)5/h1H3,(H,4,5)
InChIKeyPTBPPMSCOZEHQT-UHFFFAOYSA-N
XLogP-0.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.87
LogP ≤ 5-0.51
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 22943737?
The IUPAC name of CID 22943737 (CID 22943737) is not available.
What is the SMILES notation for CID 22943737?
The canonical SMILES for CID 22943737 is [B]C(=O)NC.
What is the InChIKey of CID 22943737?
The InChIKey is PTBPPMSCOZEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BNO/c1-4-2(3)5/h1H3,(H,4,5).
What are the key properties of CID 22943737?
CID 22943737 has a molecular weight of 68.87 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22943737 is sourced from PubChem (CID 22943737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).