2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol

C12H23NO2 — CID 104550086

IUPAC2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol
SMILESOCC(CO)N1CC2(CCCCCC2)C1
InChIInChI=1S/C12H23NO2/c14-7-11(8-15)13-9-12(10-13)5-3-1-2-4-6-12/h11,14-15H,1-10H2
InChIKeyUAYYPRBIEORUHF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol

2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol (PubChem CID 104550086) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol
PubChem CID104550086
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol
SMILESOCC(CO)N1CC2(CCCCCC2)C1
InChIInChI=1S/C12H23NO2/c14-7-11(8-15)13-9-12(10-13)5-3-1-2-4-6-12/h11,14-15H,1-10H2
InChIKeyUAYYPRBIEORUHF-UHFFFAOYSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol?
The IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol (CID 104550086) is 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol?
The canonical SMILES for 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol is OCC(CO)N1CC2(CCCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol?
The InChIKey is UAYYPRBIEORUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-7-11(8-15)13-9-12(10-13)5-3-1-2-4-6-12/h11,14-15H,1-10H2.
What are the key properties of 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol?
2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol has a molecular weight of 213.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol is sourced from PubChem (CID 104550086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).