CID 147215242

C7H10BNO — CID 147215242

IUPAC—
SMILES[B]C1C=C(C(N)=O)CCC1
InChIInChI=1S/C7H10BNO/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3H2,(H2,9,10)
InChIKeyGZLZJRPKUDBVNU-UHFFFAOYSA-N
MW134.97 g/mol
LogP0.54
Rot. Bonds1

About CID 147215242

CID 147215242 (PubChem CID 147215242) has the molecular formula C7H10BNO and a molecular weight of 134.97 g/mol.

Molecular Properties

Compound NameCID 147215242
PubChem CID147215242
Molecular FormulaC7H10BNO
Molecular Weight134.97 g/mol
Exact Mass135.09
IUPAC Name—
SMILES[B]C1C=C(C(N)=O)CCC1
InChIInChI=1S/C7H10BNO/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3H2,(H2,9,10)
InChIKeyGZLZJRPKUDBVNU-UHFFFAOYSA-N
XLogP0.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.97
LogP ≤ 50.54
H-Bond Donors ≤ 51
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 147215242?
The IUPAC name of CID 147215242 (CID 147215242) is not available.
What is the SMILES notation for CID 147215242?
The canonical SMILES for CID 147215242 is [B]C1C=C(C(N)=O)CCC1.
What is the InChIKey of CID 147215242?
The InChIKey is GZLZJRPKUDBVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3H2,(H2,9,10).
What are the key properties of CID 147215242?
CID 147215242 has a molecular weight of 134.97 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147215242 is sourced from PubChem (CID 147215242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).