2-amino-1,3-dioxepan-2-ol

C5H11NO3 — CID 57284913

IUPAC2-amino-1,3-dioxepan-2-ol
SMILESNC1(O)OCCCCO1
InChIInChI=1S/C5H11NO3/c6-5(7)8-3-1-2-4-9-5/h7H,1-4,6H2
InChIKeyUVKJAEPOYHZOLW-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.62
Rot. Bonds

About 2-amino-1,3-dioxepan-2-ol

2-amino-1,3-dioxepan-2-ol (PubChem CID 57284913) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-amino-1,3-dioxepan-2-ol.

Molecular Properties

Compound Name2-amino-1,3-dioxepan-2-ol
PubChem CID57284913
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-amino-1,3-dioxepan-2-ol
SMILESNC1(O)OCCCCO1
InChIInChI=1S/C5H11NO3/c6-5(7)8-3-1-2-4-9-5/h7H,1-4,6H2
InChIKeyUVKJAEPOYHZOLW-UHFFFAOYSA-N
XLogP-0.62
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-dioxepan-2-ol?
The IUPAC name of 2-amino-1,3-dioxepan-2-ol (CID 57284913) is 2-amino-1,3-dioxepan-2-ol.
What is the SMILES notation for 2-amino-1,3-dioxepan-2-ol?
The canonical SMILES for 2-amino-1,3-dioxepan-2-ol is NC1(O)OCCCCO1.
What is the InChIKey of 2-amino-1,3-dioxepan-2-ol?
The InChIKey is UVKJAEPOYHZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c6-5(7)8-3-1-2-4-9-5/h7H,1-4,6H2.
What are the key properties of 2-amino-1,3-dioxepan-2-ol?
2-amino-1,3-dioxepan-2-ol has a molecular weight of 133.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-dioxepan-2-ol is sourced from PubChem (CID 57284913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).