(5-amino-1,4-dioxan-2-yl)methanol

C5H11NO3 — CID 155158463

IUPAC(5-amino-1,4-dioxan-2-yl)methanol
SMILESNC1COC(CO)CO1
InChIInChI=1S/C5H11NO3/c6-5-3-8-4(1-7)2-9-5/h4-5,7H,1-3,6H2
InChIKeySSJSZDRSWNAMHS-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.32
Rot. Bonds1

About (5-amino-1,4-dioxan-2-yl)methanol

(5-amino-1,4-dioxan-2-yl)methanol (PubChem CID 155158463) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (5-amino-1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(5-amino-1,4-dioxan-2-yl)methanol
PubChem CID155158463
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(5-amino-1,4-dioxan-2-yl)methanol
SMILESNC1COC(CO)CO1
InChIInChI=1S/C5H11NO3/c6-5-3-8-4(1-7)2-9-5/h4-5,7H,1-3,6H2
InChIKeySSJSZDRSWNAMHS-UHFFFAOYSA-N
XLogP-1.32
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,4-dioxan-2-yl)methanol?
The IUPAC name of (5-amino-1,4-dioxan-2-yl)methanol (CID 155158463) is (5-amino-1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (5-amino-1,4-dioxan-2-yl)methanol?
The canonical SMILES for (5-amino-1,4-dioxan-2-yl)methanol is NC1COC(CO)CO1.
What is the InChIKey of (5-amino-1,4-dioxan-2-yl)methanol?
The InChIKey is SSJSZDRSWNAMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c6-5-3-8-4(1-7)2-9-5/h4-5,7H,1-3,6H2.
What are the key properties of (5-amino-1,4-dioxan-2-yl)methanol?
(5-amino-1,4-dioxan-2-yl)methanol has a molecular weight of 133.15 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 155158463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).