3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol

C10H19NO4 — CID 82851167

IUPAC3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol
SMILESOCC(O)CN1CCCC2(C1)OCCO2
InChIInChI=1S/C10H19NO4/c12-7-9(13)6-11-3-1-2-10(8-11)14-4-5-15-10/h9,12-13H,1-8H2
InChIKeyIDVLOTDVCQZQHO-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.82
Rot. Bonds3

About 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol

3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol (PubChem CID 82851167) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol
PubChem CID82851167
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol
SMILESOCC(O)CN1CCCC2(C1)OCCO2
InChIInChI=1S/C10H19NO4/c12-7-9(13)6-11-3-1-2-10(8-11)14-4-5-15-10/h9,12-13H,1-8H2
InChIKeyIDVLOTDVCQZQHO-UHFFFAOYSA-N
XLogP-0.82
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol?
The IUPAC name of 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol (CID 82851167) is 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol.
What is the SMILES notation for 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol?
The canonical SMILES for 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol is OCC(O)CN1CCCC2(C1)OCCO2.
What is the InChIKey of 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol?
The InChIKey is IDVLOTDVCQZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-7-9(13)6-11-3-1-2-10(8-11)14-4-5-15-10/h9,12-13H,1-8H2.
What are the key properties of 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol?
3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol has a molecular weight of 217.26 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol is sourced from PubChem (CID 82851167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).