4-[(methoxyamino)methyl]oxan-4-ol

C7H15NO3 — CID 130638339

IUPAC4-[(methoxyamino)methyl]oxan-4-ol
SMILESCONCC1(O)CCOCC1
InChIInChI=1S/C7H15NO3/c1-10-8-6-7(9)2-4-11-5-3-7/h8-9H,2-6H2,1H3
InChIKeyHNRHNNHTBNUNMY-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.32
Rot. Bonds3

About 4-[(methoxyamino)methyl]oxan-4-ol

4-[(methoxyamino)methyl]oxan-4-ol (PubChem CID 130638339) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-[(methoxyamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(methoxyamino)methyl]oxan-4-ol
PubChem CID130638339
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-[(methoxyamino)methyl]oxan-4-ol
SMILESCONCC1(O)CCOCC1
InChIInChI=1S/C7H15NO3/c1-10-8-6-7(9)2-4-11-5-3-7/h8-9H,2-6H2,1H3
InChIKeyHNRHNNHTBNUNMY-UHFFFAOYSA-N
XLogP-0.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(methoxyamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(methoxyamino)methyl]oxan-4-ol (CID 130638339) is 4-[(methoxyamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(methoxyamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(methoxyamino)methyl]oxan-4-ol is CONCC1(O)CCOCC1.
What is the InChIKey of 4-[(methoxyamino)methyl]oxan-4-ol?
The InChIKey is HNRHNNHTBNUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-10-8-6-7(9)2-4-11-5-3-7/h8-9H,2-6H2,1H3.
What are the key properties of 4-[(methoxyamino)methyl]oxan-4-ol?
4-[(methoxyamino)methyl]oxan-4-ol has a molecular weight of 161.20 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(methoxyamino)methyl]oxan-4-ol is sourced from PubChem (CID 130638339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).