[(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid

C10H18BNO3 — CID 99906007

IUPAC[(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid
SMILESOB(O)C1=CC[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C10H18BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1,10,13-14H,2-8H2/t10-/m1/s1
InChIKeyXDANBBIORJLSBJ-SNVBAGLBSA-N
MW211.07 g/mol
LogP-0.19
Rot. Bonds2

About [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid

[(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid (PubChem CID 99906007) has the molecular formula C10H18BNO3 and a molecular weight of 211.07 g/mol. Its IUPAC name is [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid.

Molecular Properties

Compound Name[(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid
PubChem CID99906007
Molecular FormulaC10H18BNO3
Molecular Weight211.07 g/mol
Exact Mass211.14
IUPAC Name[(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid
SMILESOB(O)C1=CC[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C10H18BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1,10,13-14H,2-8H2/t10-/m1/s1
InChIKeyXDANBBIORJLSBJ-SNVBAGLBSA-N
XLogP-0.19
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid?
The IUPAC name of [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid (CID 99906007) is [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid.
What is the SMILES notation for [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid?
The canonical SMILES for [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid is OB(O)C1=CC[C@@H](N2CCOCC2)CC1.
What is the InChIKey of [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid?
The InChIKey is XDANBBIORJLSBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1,10,13-14H,2-8H2/t10-/m1/s1.
What are the key properties of [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid?
[(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid has a molecular weight of 211.07 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-morpholin-4-ylcyclohexen-1-yl]boronic acid is sourced from PubChem (CID 99906007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).