CID 123409212

C8H10BN — CID 123409212

IUPAC—
SMILES[B]CN1C=C(C)C=CC1=C
InChIInChI=1S/C8H10BN/c1-7-3-4-8(2)10(5-7)6-9/h3-5H,2,6H2,1H3
InChIKeyUZPLQLYDJZVZFJ-UHFFFAOYSA-N
MW130.99 g/mol
LogP1.40
Rot. Bonds1

About CID 123409212

CID 123409212 (PubChem CID 123409212) has the molecular formula C8H10BN and a molecular weight of 130.99 g/mol.

Molecular Properties

Compound NameCID 123409212
PubChem CID123409212
Molecular FormulaC8H10BN
Molecular Weight130.99 g/mol
Exact Mass131.09
IUPAC Name—
SMILES[B]CN1C=C(C)C=CC1=C
InChIInChI=1S/C8H10BN/c1-7-3-4-8(2)10(5-7)6-9/h3-5H,2,6H2,1H3
InChIKeyUZPLQLYDJZVZFJ-UHFFFAOYSA-N
XLogP1.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.99
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 123409212?
The IUPAC name of CID 123409212 (CID 123409212) is not available.
What is the SMILES notation for CID 123409212?
The canonical SMILES for CID 123409212 is [B]CN1C=C(C)C=CC1=C.
What is the InChIKey of CID 123409212?
The InChIKey is UZPLQLYDJZVZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN/c1-7-3-4-8(2)10(5-7)6-9/h3-5H,2,6H2,1H3.
What are the key properties of CID 123409212?
CID 123409212 has a molecular weight of 130.99 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123409212 is sourced from PubChem (CID 123409212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).