CID 88952549

C8H10BNO — CID 88952549

IUPAC—
SMILES[B]c1cccc(CCOC)n1
InChIInChI=1S/C8H10BNO/c1-11-6-5-7-3-2-4-8(9)10-7/h2-4H,5-6H2,1H3
InChIKeyOMXLSFCMGROWFX-UHFFFAOYSA-N
MW146.99 g/mol
LogP0.06
Rot. Bonds3

About CID 88952549

CID 88952549 (PubChem CID 88952549) has the molecular formula C8H10BNO and a molecular weight of 146.99 g/mol.

Molecular Properties

Compound NameCID 88952549
PubChem CID88952549
Molecular FormulaC8H10BNO
Molecular Weight146.99 g/mol
Exact Mass147.09
IUPAC Name—
SMILES[B]c1cccc(CCOC)n1
InChIInChI=1S/C8H10BNO/c1-11-6-5-7-3-2-4-8(9)10-7/h2-4H,5-6H2,1H3
InChIKeyOMXLSFCMGROWFX-UHFFFAOYSA-N
XLogP0.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.99
LogP ≤ 50.06
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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6-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 88952549?
The IUPAC name of CID 88952549 (CID 88952549) is not available.
What is the SMILES notation for CID 88952549?
The canonical SMILES for CID 88952549 is [B]c1cccc(CCOC)n1.
What is the InChIKey of CID 88952549?
The InChIKey is OMXLSFCMGROWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO/c1-11-6-5-7-3-2-4-8(9)10-7/h2-4H,5-6H2,1H3.
What are the key properties of CID 88952549?
CID 88952549 has a molecular weight of 146.99 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88952549 is sourced from PubChem (CID 88952549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).