CID 145481170

C11H9BNORb — CID 145481170

IUPAC—
SMILES[B]c1c[c-]cc2c1C(=C)CCN2C=O.[Rb+]
InChIInChI=1S/C11H9BNO.Rb/c1-8-5-6-13(7-14)10-4-2-3-9(12)11(8)10;/h3-4,7H,1,5-6H2;/q-1;+1
InChIKeyLLNMKJZUNKFBPO-UHFFFAOYSA-N
MW267.48 g/mol
LogP-2.34
Rot. Bonds1

About CID 145481170

CID 145481170 (PubChem CID 145481170) has the molecular formula C11H9BNORb and a molecular weight of 267.48 g/mol.

Molecular Properties

Compound NameCID 145481170
PubChem CID145481170
Molecular FormulaC11H9BNORb
Molecular Weight267.48 g/mol
Exact Mass266.99
IUPAC Name—
SMILES[B]c1c[c-]cc2c1C(=C)CCN2C=O.[Rb+]
InChIInChI=1S/C11H9BNO.Rb/c1-8-5-6-13(7-14)10-4-2-3-9(12)11(8)10;/h3-4,7H,1,5-6H2;/q-1;+1
InChIKeyLLNMKJZUNKFBPO-UHFFFAOYSA-N
XLogP-2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145481170?
The IUPAC name of CID 145481170 (CID 145481170) is not available.
What is the SMILES notation for CID 145481170?
The canonical SMILES for CID 145481170 is [B]c1c[c-]cc2c1C(=C)CCN2C=O.[Rb+].
What is the InChIKey of CID 145481170?
The InChIKey is LLNMKJZUNKFBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BNO.Rb/c1-8-5-6-13(7-14)10-4-2-3-9(12)11(8)10;/h3-4,7H,1,5-6H2;/q-1;+1.
What are the key properties of CID 145481170?
CID 145481170 has a molecular weight of 267.48 g/mol, XLogP of -2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145481170 is sourced from PubChem (CID 145481170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).