CID 174065221

C15H18B2N2O — CID 174065221

IUPAC—
SMILES[B]C([B])([C@@H](C)N(C)C)n1ccc2c3c(ccc21)OCC3
InChIInChI=1S/C15H18B2N2O/c1-10(18(2)3)15(16,17)19-8-6-11-12-7-9-20-14(12)5-4-13(11)19/h4-6,8,10H,7,9H2,1-3H3/t10-/m1/s1
InChIKeyRSTHQLDHODSMGR-SNVBAGLBSA-N
MW263.95 g/mol
LogP1.47
Rot. Bonds3

About CID 174065221

CID 174065221 (PubChem CID 174065221) has the molecular formula C15H18B2N2O and a molecular weight of 263.95 g/mol.

Molecular Properties

Compound NameCID 174065221
PubChem CID174065221
Molecular FormulaC15H18B2N2O
Molecular Weight263.95 g/mol
Exact Mass264.16
IUPAC Name—
SMILES[B]C([B])([C@@H](C)N(C)C)n1ccc2c3c(ccc21)OCC3
InChIInChI=1S/C15H18B2N2O/c1-10(18(2)3)15(16,17)19-8-6-11-12-7-9-20-14(12)5-4-13(11)19/h4-6,8,10H,7,9H2,1-3H3/t10-/m1/s1
InChIKeyRSTHQLDHODSMGR-SNVBAGLBSA-N
XLogP1.47
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.95
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 174065221?
The IUPAC name of CID 174065221 (CID 174065221) is not available.
What is the SMILES notation for CID 174065221?
The canonical SMILES for CID 174065221 is [B]C([B])([C@@H](C)N(C)C)n1ccc2c3c(ccc21)OCC3.
What is the InChIKey of CID 174065221?
The InChIKey is RSTHQLDHODSMGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18B2N2O/c1-10(18(2)3)15(16,17)19-8-6-11-12-7-9-20-14(12)5-4-13(11)19/h4-6,8,10H,7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of CID 174065221?
CID 174065221 has a molecular weight of 263.95 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174065221 is sourced from PubChem (CID 174065221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).