CID 58792633

C9H20BN2O4P — CID 58792633

IUPAC—
SMILES[B]C1CN(P(=O)(OC)N(C)C)CC(COC)O1
InChIInChI=1S/C9H20BN2O4P/c1-11(2)17(13,15-4)12-5-8(7-14-3)16-9(10)6-12/h8-9H,5-7H2,1-4H3
InChIKeyPUEGUROGSCVBMG-UHFFFAOYSA-N
MW262.05 g/mol
LogP0.14
Rot. Bonds5

About CID 58792633

CID 58792633 (PubChem CID 58792633) has the molecular formula C9H20BN2O4P and a molecular weight of 262.05 g/mol.

Molecular Properties

Compound NameCID 58792633
PubChem CID58792633
Molecular FormulaC9H20BN2O4P
Molecular Weight262.05 g/mol
Exact Mass262.13
IUPAC Name—
SMILES[B]C1CN(P(=O)(OC)N(C)C)CC(COC)O1
InChIInChI=1S/C9H20BN2O4P/c1-11(2)17(13,15-4)12-5-8(7-14-3)16-9(10)6-12/h8-9H,5-7H2,1-4H3
InChIKeyPUEGUROGSCVBMG-UHFFFAOYSA-N
XLogP0.14
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 58792633 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 58792633?
The IUPAC name of CID 58792633 (CID 58792633) is not available.
What is the SMILES notation for CID 58792633?
The canonical SMILES for CID 58792633 is [B]C1CN(P(=O)(OC)N(C)C)CC(COC)O1.
What is the InChIKey of CID 58792633?
The InChIKey is PUEGUROGSCVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BN2O4P/c1-11(2)17(13,15-4)12-5-8(7-14-3)16-9(10)6-12/h8-9H,5-7H2,1-4H3.
What are the key properties of CID 58792633?
CID 58792633 has a molecular weight of 262.05 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58792633 is sourced from PubChem (CID 58792633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).