CID 58870327

C5H10BNO2 — CID 58870327

IUPAC—
SMILES[B]C(=O)N(C)CCCO
InChIInChI=1S/C5H10BNO2/c1-7(5(6)9)3-2-4-8/h8H,2-4H2,1H3
InChIKeyOORFDMWSBGVQCQ-UHFFFAOYSA-N
MW126.95 g/mol
LogP-0.41
Rot. Bonds3

About CID 58870327

CID 58870327 (PubChem CID 58870327) has the molecular formula C5H10BNO2 and a molecular weight of 126.95 g/mol.

Molecular Properties

Compound NameCID 58870327
PubChem CID58870327
Molecular FormulaC5H10BNO2
Molecular Weight126.95 g/mol
Exact Mass127.08
IUPAC Name—
SMILES[B]C(=O)N(C)CCCO
InChIInChI=1S/C5H10BNO2/c1-7(5(6)9)3-2-4-8/h8H,2-4H2,1H3
InChIKeyOORFDMWSBGVQCQ-UHFFFAOYSA-N
XLogP-0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.95
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 58870327 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58870327?
The IUPAC name of CID 58870327 (CID 58870327) is not available.
What is the SMILES notation for CID 58870327?
The canonical SMILES for CID 58870327 is [B]C(=O)N(C)CCCO.
What is the InChIKey of CID 58870327?
The InChIKey is OORFDMWSBGVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO2/c1-7(5(6)9)3-2-4-8/h8H,2-4H2,1H3.
What are the key properties of CID 58870327?
CID 58870327 has a molecular weight of 126.95 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58870327 is sourced from PubChem (CID 58870327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).