CID 23519376

C8H14BNO — CID 23519376

IUPAC—
SMILES[B]CC(=O)N1CC(C)CC1C
InChIInChI=1S/C8H14BNO/c1-6-3-7(2)10(5-6)8(11)4-9/h6-7H,3-5H2,1-2H3
InChIKeyCJHWYODIVLNQJN-UHFFFAOYSA-N
MW151.02 g/mol
LogP0.83
Rot. Bonds1

About CID 23519376

CID 23519376 (PubChem CID 23519376) has the molecular formula C8H14BNO and a molecular weight of 151.02 g/mol.

Molecular Properties

Compound NameCID 23519376
PubChem CID23519376
Molecular FormulaC8H14BNO
Molecular Weight151.02 g/mol
Exact Mass151.12
IUPAC Name—
SMILES[B]CC(=O)N1CC(C)CC1C
InChIInChI=1S/C8H14BNO/c1-6-3-7(2)10(5-6)8(11)4-9/h6-7H,3-5H2,1-2H3
InChIKeyCJHWYODIVLNQJN-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 23519376?
The IUPAC name of CID 23519376 (CID 23519376) is not available.
What is the SMILES notation for CID 23519376?
The canonical SMILES for CID 23519376 is [B]CC(=O)N1CC(C)CC1C.
What is the InChIKey of CID 23519376?
The InChIKey is CJHWYODIVLNQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BNO/c1-6-3-7(2)10(5-6)8(11)4-9/h6-7H,3-5H2,1-2H3.
What are the key properties of CID 23519376?
CID 23519376 has a molecular weight of 151.02 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23519376 is sourced from PubChem (CID 23519376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).