CID 59582090

C8H14BNO — CID 59582090

IUPAC—
SMILES[B]CCN1C(=O)CC(C)C1C
InChIInChI=1S/C8H14BNO/c1-6-5-8(11)10(4-3-9)7(6)2/h6-7H,3-5H2,1-2H3
InChIKeyOAGIFWVNPXOTKJ-UHFFFAOYSA-N
MW151.02 g/mol
LogP0.83
Rot. Bonds2

About CID 59582090

CID 59582090 (PubChem CID 59582090) has the molecular formula C8H14BNO and a molecular weight of 151.02 g/mol.

Molecular Properties

Compound NameCID 59582090
PubChem CID59582090
Molecular FormulaC8H14BNO
Molecular Weight151.02 g/mol
Exact Mass151.12
IUPAC Name—
SMILES[B]CCN1C(=O)CC(C)C1C
InChIInChI=1S/C8H14BNO/c1-6-5-8(11)10(4-3-9)7(6)2/h6-7H,3-5H2,1-2H3
InChIKeyOAGIFWVNPXOTKJ-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.02
LogP ≤ 50.83
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 59582090?
The IUPAC name of CID 59582090 (CID 59582090) is not available.
What is the SMILES notation for CID 59582090?
The canonical SMILES for CID 59582090 is [B]CCN1C(=O)CC(C)C1C.
What is the InChIKey of CID 59582090?
The InChIKey is OAGIFWVNPXOTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BNO/c1-6-5-8(11)10(4-3-9)7(6)2/h6-7H,3-5H2,1-2H3.
What are the key properties of CID 59582090?
CID 59582090 has a molecular weight of 151.02 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59582090 is sourced from PubChem (CID 59582090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).