8-azaspiro[4.5]decan-8-yl hydrogen carbonate

C10H17NO3 — CID 68899591

IUPAC8-azaspiro[4.5]decan-8-yl hydrogen carbonate
SMILESO=C(O)ON1CCC2(CCCC2)CC1
InChIInChI=1S/C10H17NO3/c12-9(13)14-11-7-5-10(6-8-11)3-1-2-4-10/h1-8H2,(H,12,13)
InChIKeyHZNYBFAYFBKGGW-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.25
Rot. Bonds1

About 8-azaspiro[4.5]decan-8-yl hydrogen carbonate

8-azaspiro[4.5]decan-8-yl hydrogen carbonate (PubChem CID 68899591) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl hydrogen carbonate.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl hydrogen carbonate
PubChem CID68899591
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name8-azaspiro[4.5]decan-8-yl hydrogen carbonate
SMILESO=C(O)ON1CCC2(CCCC2)CC1
InChIInChI=1S/C10H17NO3/c12-9(13)14-11-7-5-10(6-8-11)3-1-2-4-10/h1-8H2,(H,12,13)
InChIKeyHZNYBFAYFBKGGW-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl hydrogen carbonate?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl hydrogen carbonate (CID 68899591) is 8-azaspiro[4.5]decan-8-yl hydrogen carbonate.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl hydrogen carbonate?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl hydrogen carbonate is O=C(O)ON1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl hydrogen carbonate?
The InChIKey is HZNYBFAYFBKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)14-11-7-5-10(6-8-11)3-1-2-4-10/h1-8H2,(H,12,13).
What are the key properties of 8-azaspiro[4.5]decan-8-yl hydrogen carbonate?
8-azaspiro[4.5]decan-8-yl hydrogen carbonate has a molecular weight of 199.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl hydrogen carbonate is sourced from PubChem (CID 68899591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).