CID 59938219

C12H15BN — CID 59938219

IUPAC—
SMILESC[B]c1ccc2c(c1)c(C)c(C)n2C
InChIInChI=1S/C12H15BN/c1-8-9(2)14(4)12-6-5-10(13-3)7-11(8)12/h5-7H,1-4H3
InChIKeyFAXOOXPWJOJGBW-UHFFFAOYSA-N
MW184.07 g/mol
LogP2.17
Rot. Bonds1

About CID 59938219

CID 59938219 (PubChem CID 59938219) has the molecular formula C12H15BN and a molecular weight of 184.07 g/mol.

Molecular Properties

Compound NameCID 59938219
PubChem CID59938219
Molecular FormulaC12H15BN
Molecular Weight184.07 g/mol
Exact Mass184.13
IUPAC Name—
SMILESC[B]c1ccc2c(c1)c(C)c(C)n2C
InChIInChI=1S/C12H15BN/c1-8-9(2)14(4)12-6-5-10(13-3)7-11(8)12/h5-7H,1-4H3
InChIKeyFAXOOXPWJOJGBW-UHFFFAOYSA-N
XLogP2.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59938219?
The IUPAC name of CID 59938219 (CID 59938219) is not available.
What is the SMILES notation for CID 59938219?
The canonical SMILES for CID 59938219 is C[B]c1ccc2c(c1)c(C)c(C)n2C.
What is the InChIKey of CID 59938219?
The InChIKey is FAXOOXPWJOJGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN/c1-8-9(2)14(4)12-6-5-10(13-3)7-11(8)12/h5-7H,1-4H3.
What are the key properties of CID 59938219?
CID 59938219 has a molecular weight of 184.07 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59938219 is sourced from PubChem (CID 59938219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).