1-azaspiro[5.5]undecan-3-yl hydrogen carbonate

C11H19NO3 — CID 68900644

IUPAC1-azaspiro[5.5]undecan-3-yl hydrogen carbonate
SMILESO=C(O)OC1CCC2(CCCCC2)NC1
InChIInChI=1S/C11H19NO3/c13-10(14)15-9-4-7-11(12-8-9)5-2-1-3-6-11/h9,12H,1-8H2,(H,13,14)
InChIKeyHHUKGLZYXIZXAG-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.14
Rot. Bonds1

About 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate

1-azaspiro[5.5]undecan-3-yl hydrogen carbonate (PubChem CID 68900644) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate.

Molecular Properties

Compound Name1-azaspiro[5.5]undecan-3-yl hydrogen carbonate
PubChem CID68900644
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-azaspiro[5.5]undecan-3-yl hydrogen carbonate
SMILESO=C(O)OC1CCC2(CCCCC2)NC1
InChIInChI=1S/C11H19NO3/c13-10(14)15-9-4-7-11(12-8-9)5-2-1-3-6-11/h9,12H,1-8H2,(H,13,14)
InChIKeyHHUKGLZYXIZXAG-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl hydrogen carbonate
CID 23179405
9-oxa-6-azaspiro[4.5]decane-8-carboxylic acid
CID 105441565
azane;cyclohexyl hydrogen carbonate
CID 67723937
1-azaspiro[5.5]undecane-3-carbaldehyde
CID 123930535
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
CID 90449500
cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
CID 68845454
1-cyclopentyloxycyclohexane-1-carboxylic acid
CID 82236545
1-azaspiro[4.5]decane
CID 9092
(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate?
The IUPAC name of 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate (CID 68900644) is 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate.
What is the SMILES notation for 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate?
The canonical SMILES for 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate is O=C(O)OC1CCC2(CCCCC2)NC1.
What is the InChIKey of 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate?
The InChIKey is HHUKGLZYXIZXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)15-9-4-7-11(12-8-9)5-2-1-3-6-11/h9,12H,1-8H2,(H,13,14).
What are the key properties of 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate?
1-azaspiro[5.5]undecan-3-yl hydrogen carbonate has a molecular weight of 213.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[5.5]undecan-3-yl hydrogen carbonate is sourced from PubChem (CID 68900644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).