spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol

C11H13NO4 — CID 104826753

IUPACspiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol
SMILESOCc1cc2c(cn1)OC1(CCOCC1)O2
InChIInChI=1S/C11H13NO4/c13-7-8-5-9-10(6-12-8)16-11(15-9)1-3-14-4-2-11/h5-6,13H,1-4,7H2
InChIKeyDHENUHICGCBNPM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.85
Rot. Bonds1

About spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol

spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol (PubChem CID 104826753) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol.

Molecular Properties

Compound Namespiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol
PubChem CID104826753
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namespiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol
SMILESOCc1cc2c(cn1)OC1(CCOCC1)O2
InChIInChI=1S/C11H13NO4/c13-7-8-5-9-10(6-12-8)16-11(15-9)1-3-14-4-2-11/h5-6,13H,1-4,7H2
InChIKeyDHENUHICGCBNPM-UHFFFAOYSA-N
XLogP0.85
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-ylmethanol
CID 141190538
6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium
CID 164910534
[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol
CID 106297102
[4-[(5-bromo-2-pyridinyl)methyl]oxan-4-yl]methanol
CID 104813123
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641803
7-pyrazin-2-yl-1,4-dioxonan-7-amine
CID 134570495
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
4-[4-(hydroxymethyl)-2-pyridinyl]oxan-4-ol
CID 10750905
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
4-[(5-bromo-2-pyridinyl)methyl]oxepan-4-ol
CID 104802124

Frequently Asked Questions

What is the IUPAC name of spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol?
The IUPAC name of spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol (CID 104826753) is spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol.
What is the SMILES notation for spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol?
The canonical SMILES for spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol is OCc1cc2c(cn1)OC1(CCOCC1)O2.
What is the InChIKey of spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol?
The InChIKey is DHENUHICGCBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-8-5-9-10(6-12-8)16-11(15-9)1-3-14-4-2-11/h5-6,13H,1-4,7H2.
What are the key properties of spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol?
spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol has a molecular weight of 223.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[[1,3]dioxolo[4,5-c]pyridine-2,4'-oxane]-6-ylmethanol is sourced from PubChem (CID 104826753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).