CID 58907260

C10H12BNO3 — CID 58907260

IUPAC—
SMILES[3H]OC[C@@H]1C2CC=CCC2C(=O)N1C([B])=O
InChIInChI=1S/C10H12BNO3/c11-10(15)12-8(5-13)6-3-1-2-4-7(6)9(12)14/h1-2,6-8,13H,3-5H2/t6?,7?,8-/m1/s1/i13T
InChIKeyOJSAPSYYUAAUSJ-UBQWBRCRSA-N
MW207.03 g/mol
LogP0.06
Rot. Bonds2

About CID 58907260

CID 58907260 (PubChem CID 58907260) has the molecular formula C10H12BNO3 and a molecular weight of 207.03 g/mol.

Molecular Properties

Compound NameCID 58907260
PubChem CID58907260
Molecular FormulaC10H12BNO3
Molecular Weight207.03 g/mol
Exact Mass207.10
IUPAC Name—
SMILES[3H]OC[C@@H]1C2CC=CCC2C(=O)N1C([B])=O
InChIInChI=1S/C10H12BNO3/c11-10(15)12-8(5-13)6-3-1-2-4-7(6)9(12)14/h1-2,6-8,13H,3-5H2/t6?,7?,8-/m1/s1/i13T
InChIKeyOJSAPSYYUAAUSJ-UBQWBRCRSA-N
XLogP0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58907260?
The IUPAC name of CID 58907260 (CID 58907260) is not available.
What is the SMILES notation for CID 58907260?
The canonical SMILES for CID 58907260 is [3H]OC[C@@H]1C2CC=CCC2C(=O)N1C([B])=O.
What is the InChIKey of CID 58907260?
The InChIKey is OJSAPSYYUAAUSJ-UBQWBRCRSA-N. The full InChI is InChI=1S/C10H12BNO3/c11-10(15)12-8(5-13)6-3-1-2-4-7(6)9(12)14/h1-2,6-8,13H,3-5H2/t6?,7?,8-/m1/s1/i13T.
What are the key properties of CID 58907260?
CID 58907260 has a molecular weight of 207.03 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58907260 is sourced from PubChem (CID 58907260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).