CID 123965231

C15H24BN2O2 — CID 123965231

IUPAC—
SMILESCNCN=C(C)c1ccc([B]OC(C)(C)C(C)O)cc1
InChIInChI=1S/C15H24BN2O2/c1-11(18-10-17-5)13-6-8-14(9-7-13)16-20-15(3,4)12(2)19/h6-9,12,17,19H,10H2,1-5H3
InChIKeyZDPNEFGGBPSKQK-UHFFFAOYSA-N
MW275.18 g/mol
LogP1.09
Rot. Bonds7

About CID 123965231

CID 123965231 (PubChem CID 123965231) has the molecular formula C15H24BN2O2 and a molecular weight of 275.18 g/mol.

Molecular Properties

Compound NameCID 123965231
PubChem CID123965231
Molecular FormulaC15H24BN2O2
Molecular Weight275.18 g/mol
Exact Mass275.19
IUPAC Name—
SMILESCNCN=C(C)c1ccc([B]OC(C)(C)C(C)O)cc1
InChIInChI=1S/C15H24BN2O2/c1-11(18-10-17-5)13-6-8-14(9-7-13)16-20-15(3,4)12(2)19/h6-9,12,17,19H,10H2,1-5H3
InChIKeyZDPNEFGGBPSKQK-UHFFFAOYSA-N
XLogP1.09
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123965231?
The IUPAC name of CID 123965231 (CID 123965231) is not available.
What is the SMILES notation for CID 123965231?
The canonical SMILES for CID 123965231 is CNCN=C(C)c1ccc([B]OC(C)(C)C(C)O)cc1.
What is the InChIKey of CID 123965231?
The InChIKey is ZDPNEFGGBPSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN2O2/c1-11(18-10-17-5)13-6-8-14(9-7-13)16-20-15(3,4)12(2)19/h6-9,12,17,19H,10H2,1-5H3.
What are the key properties of CID 123965231?
CID 123965231 has a molecular weight of 275.18 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123965231 is sourced from PubChem (CID 123965231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).