CID 136835222

C10H17BNO — CID 136835222

IUPAC—
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H]1N[B]O[C@@H]21
InChIInChI=1S/C10H17BNO/c1-9(2)6-4-5-10(9,3)8-7(6)13-11-12-8/h6-8,12H,4-5H2,1-3H3/t6-,7+,8+,10+/m1/s1
InChIKeyRNGKSCZPIORGBU-VEVYYDQMSA-N
MW178.06 g/mol
LogP1.33
Rot. Bonds

About CID 136835222

CID 136835222 (PubChem CID 136835222) has the molecular formula C10H17BNO and a molecular weight of 178.06 g/mol.

Molecular Properties

Compound NameCID 136835222
PubChem CID136835222
Molecular FormulaC10H17BNO
Molecular Weight178.06 g/mol
Exact Mass178.14
IUPAC Name—
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H]1N[B]O[C@@H]21
InChIInChI=1S/C10H17BNO/c1-9(2)6-4-5-10(9,3)8-7(6)13-11-12-8/h6-8,12H,4-5H2,1-3H3/t6-,7+,8+,10+/m1/s1
InChIKeyRNGKSCZPIORGBU-VEVYYDQMSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 136835222?
The IUPAC name of CID 136835222 (CID 136835222) is not available.
What is the SMILES notation for CID 136835222?
The canonical SMILES for CID 136835222 is CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1N[B]O[C@@H]21.
What is the InChIKey of CID 136835222?
The InChIKey is RNGKSCZPIORGBU-VEVYYDQMSA-N. The full InChI is InChI=1S/C10H17BNO/c1-9(2)6-4-5-10(9,3)8-7(6)13-11-12-8/h6-8,12H,4-5H2,1-3H3/t6-,7+,8+,10+/m1/s1.
What are the key properties of CID 136835222?
CID 136835222 has a molecular weight of 178.06 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136835222 is sourced from PubChem (CID 136835222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).