CID 154712262

C15H19BN2 — CID 154712262

IUPAC—
SMILESCC/C([B-]c1n(C)cc[n+]1C)=C/c1ccccc1
InChIInChI=1S/C15H19BN2/c1-4-14(12-13-8-6-5-7-9-13)16-15-17(2)10-11-18(15)3/h5-12H,4H2,1-3H3/b14-12-
InChIKeyUCDWPNYVCQBKKK-OWBHPGMISA-N
MW238.14 g/mol
LogP1.63
Rot. Bonds4

About CID 154712262

CID 154712262 (PubChem CID 154712262) has the molecular formula C15H19BN2 and a molecular weight of 238.14 g/mol.

Molecular Properties

Compound NameCID 154712262
PubChem CID154712262
Molecular FormulaC15H19BN2
Molecular Weight238.14 g/mol
Exact Mass238.16
IUPAC Name—
SMILESCC/C([B-]c1n(C)cc[n+]1C)=C/c1ccccc1
InChIInChI=1S/C15H19BN2/c1-4-14(12-13-8-6-5-7-9-13)16-15-17(2)10-11-18(15)3/h5-12H,4H2,1-3H3/b14-12-
InChIKeyUCDWPNYVCQBKKK-OWBHPGMISA-N
XLogP1.63
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154712262?
The IUPAC name of CID 154712262 (CID 154712262) is not available.
What is the SMILES notation for CID 154712262?
The canonical SMILES for CID 154712262 is CC/C([B-]c1n(C)cc[n+]1C)=C/c1ccccc1.
What is the InChIKey of CID 154712262?
The InChIKey is UCDWPNYVCQBKKK-OWBHPGMISA-N. The full InChI is InChI=1S/C15H19BN2/c1-4-14(12-13-8-6-5-7-9-13)16-15-17(2)10-11-18(15)3/h5-12H,4H2,1-3H3/b14-12-.
What are the key properties of CID 154712262?
CID 154712262 has a molecular weight of 238.14 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154712262 is sourced from PubChem (CID 154712262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).