CID 146695503

C4H8BNO — CID 146695503

IUPAC—
SMILES[B]N1CC(OC)C1
InChIInChI=1S/C4H8BNO/c1-7-4-2-6(5)3-4/h4H,2-3H2,1H3
InChIKeyXGLWIDPGVYEIIO-UHFFFAOYSA-N
MW96.93 g/mol
LogP-0.60
Rot. Bonds1

About CID 146695503

CID 146695503 (PubChem CID 146695503) has the molecular formula C4H8BNO and a molecular weight of 96.93 g/mol.

Molecular Properties

Compound NameCID 146695503
PubChem CID146695503
Molecular FormulaC4H8BNO
Molecular Weight96.93 g/mol
Exact Mass97.07
IUPAC Name—
SMILES[B]N1CC(OC)C1
InChIInChI=1S/C4H8BNO/c1-7-4-2-6(5)3-4/h4H,2-3H2,1H3
InChIKeyXGLWIDPGVYEIIO-UHFFFAOYSA-N
XLogP-0.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.93
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 177089843
1-(3-methoxyazetidin-1-yl)propan-2-ol
CID 126973560
N-(3-methoxyazetidin-1-yl)acetamide
CID 142684133
2-(3-methoxyazetidin-1-yl)-2-methylpropanal
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4-(3-methoxyazetidin-1-yl)-1-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of CID 146695503?
The IUPAC name of CID 146695503 (CID 146695503) is not available.
What is the SMILES notation for CID 146695503?
The canonical SMILES for CID 146695503 is [B]N1CC(OC)C1.
What is the InChIKey of CID 146695503?
The InChIKey is XGLWIDPGVYEIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BNO/c1-7-4-2-6(5)3-4/h4H,2-3H2,1H3.
What are the key properties of CID 146695503?
CID 146695503 has a molecular weight of 96.93 g/mol, XLogP of -0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146695503 is sourced from PubChem (CID 146695503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).