CID 153126153

C16H20BN2O2 — CID 153126153

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C16H20BN2O2/c1-15(2,20)16(3,4)21-17-13-7-8-14(19-11-13)12-6-5-9-18-10-12/h5-11,20H,1-4H3
InChIKeyLIKSTBWYQQQKOY-UHFFFAOYSA-N
MW283.16 g/mol
LogP1.95
Rot. Bonds5

About CID 153126153

CID 153126153 (PubChem CID 153126153) has the molecular formula C16H20BN2O2 and a molecular weight of 283.16 g/mol.

Molecular Properties

Compound NameCID 153126153
PubChem CID153126153
Molecular FormulaC16H20BN2O2
Molecular Weight283.16 g/mol
Exact Mass283.16
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C16H20BN2O2/c1-15(2,20)16(3,4)21-17-13-7-8-14(19-11-13)12-6-5-9-18-10-12/h5-11,20H,1-4H3
InChIKeyLIKSTBWYQQQKOY-UHFFFAOYSA-N
XLogP1.95
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 153126153?
The IUPAC name of CID 153126153 (CID 153126153) is not available.
What is the SMILES notation for CID 153126153?
The canonical SMILES for CID 153126153 is CC(C)(O)C(C)(C)O[B]c1ccc(-c2cccnc2)nc1.
What is the InChIKey of CID 153126153?
The InChIKey is LIKSTBWYQQQKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BN2O2/c1-15(2,20)16(3,4)21-17-13-7-8-14(19-11-13)12-6-5-9-18-10-12/h5-11,20H,1-4H3.
What are the key properties of CID 153126153?
CID 153126153 has a molecular weight of 283.16 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153126153 is sourced from PubChem (CID 153126153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).