CID 174164192

C12H15BNO — CID 174164192

IUPAC—
SMILESC[C@]1(c2ccccc2)O[B]N2CCCC21
InChIInChI=1S/C12H15BNO/c1-12(10-6-3-2-4-7-10)11-8-5-9-14(11)13-15-12/h2-4,6-7,11H,5,8-9H2,1H3/t11?,12-/m1/s1
InChIKeyJCQQSPOSOWFKFI-PIJUOVFKSA-N
MW200.07 g/mol
LogP1.93
Rot. Bonds1

About CID 174164192

CID 174164192 (PubChem CID 174164192) has the molecular formula C12H15BNO and a molecular weight of 200.07 g/mol.

Molecular Properties

Compound NameCID 174164192
PubChem CID174164192
Molecular FormulaC12H15BNO
Molecular Weight200.07 g/mol
Exact Mass200.12
IUPAC Name—
SMILESC[C@]1(c2ccccc2)O[B]N2CCCC21
InChIInChI=1S/C12H15BNO/c1-12(10-6-3-2-4-7-10)11-8-5-9-14(11)13-15-12/h2-4,6-7,11H,5,8-9H2,1H3/t11?,12-/m1/s1
InChIKeyJCQQSPOSOWFKFI-PIJUOVFKSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174164192?
The IUPAC name of CID 174164192 (CID 174164192) is not available.
What is the SMILES notation for CID 174164192?
The canonical SMILES for CID 174164192 is C[C@]1(c2ccccc2)O[B]N2CCCC21.
What is the InChIKey of CID 174164192?
The InChIKey is JCQQSPOSOWFKFI-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H15BNO/c1-12(10-6-3-2-4-7-10)11-8-5-9-14(11)13-15-12/h2-4,6-7,11H,5,8-9H2,1H3/t11?,12-/m1/s1.
What are the key properties of CID 174164192?
CID 174164192 has a molecular weight of 200.07 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174164192 is sourced from PubChem (CID 174164192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).