CID 89241284

C10H13BN2O — CID 89241284

IUPAC—
SMILES[B]c1ccc2c(c1)CC(C(O)CN)N2
InChIInChI=1S/C10H13BN2O/c11-7-1-2-8-6(3-7)4-9(13-8)10(14)5-12/h1-3,9-10,13-14H,4-5,12H2
InChIKeyXZMKITOOUPNZPF-UHFFFAOYSA-N
MW188.04 g/mol
LogP-0.86
Rot. Bonds2

About CID 89241284

CID 89241284 (PubChem CID 89241284) has the molecular formula C10H13BN2O and a molecular weight of 188.04 g/mol.

Molecular Properties

Compound NameCID 89241284
PubChem CID89241284
Molecular FormulaC10H13BN2O
Molecular Weight188.04 g/mol
Exact Mass188.11
IUPAC Name—
SMILES[B]c1ccc2c(c1)CC(C(O)CN)N2
InChIInChI=1S/C10H13BN2O/c11-7-1-2-8-6(3-7)4-9(13-8)10(14)5-12/h1-3,9-10,13-14H,4-5,12H2
InChIKeyXZMKITOOUPNZPF-UHFFFAOYSA-N
XLogP-0.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.04
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 89241284 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 89241284?
The IUPAC name of CID 89241284 (CID 89241284) is not available.
What is the SMILES notation for CID 89241284?
The canonical SMILES for CID 89241284 is [B]c1ccc2c(c1)CC(C(O)CN)N2.
What is the InChIKey of CID 89241284?
The InChIKey is XZMKITOOUPNZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BN2O/c11-7-1-2-8-6(3-7)4-9(13-8)10(14)5-12/h1-3,9-10,13-14H,4-5,12H2.
What are the key properties of CID 89241284?
CID 89241284 has a molecular weight of 188.04 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89241284 is sourced from PubChem (CID 89241284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).