CID 174059318

C7H10BN2O2 — CID 174059318

IUPAC—
SMILESCNC(=O)c1cc([B]O)cn1C
InChIInChI=1S/C7H10BN2O2/c1-9-7(11)6-3-5(8-12)4-10(6)2/h3-4,12H,1-2H3,(H,9,11)
InChIKeyUBOYJYGZRQNSCZ-UHFFFAOYSA-N
MW164.98 g/mol
LogP-1.38
Rot. Bonds2

About CID 174059318

CID 174059318 (PubChem CID 174059318) has the molecular formula C7H10BN2O2 and a molecular weight of 164.98 g/mol.

Molecular Properties

Compound NameCID 174059318
PubChem CID174059318
Molecular FormulaC7H10BN2O2
Molecular Weight164.98 g/mol
Exact Mass165.08
IUPAC Name—
SMILESCNC(=O)c1cc([B]O)cn1C
InChIInChI=1S/C7H10BN2O2/c1-9-7(11)6-3-5(8-12)4-10(6)2/h3-4,12H,1-2H3,(H,9,11)
InChIKeyUBOYJYGZRQNSCZ-UHFFFAOYSA-N
XLogP-1.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.98
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 174059318?
The IUPAC name of CID 174059318 (CID 174059318) is not available.
What is the SMILES notation for CID 174059318?
The canonical SMILES for CID 174059318 is CNC(=O)c1cc([B]O)cn1C.
What is the InChIKey of CID 174059318?
The InChIKey is UBOYJYGZRQNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BN2O2/c1-9-7(11)6-3-5(8-12)4-10(6)2/h3-4,12H,1-2H3,(H,9,11).
What are the key properties of CID 174059318?
CID 174059318 has a molecular weight of 164.98 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174059318 is sourced from PubChem (CID 174059318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).