2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate

C11H16N2O4 — CID 172746602

IUPAC2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate
SMILESO=C1C=C(CCOC(=O)O)C2(CCNCC2)N1
InChIInChI=1S/C11H16N2O4/c14-9-7-8(1-6-17-10(15)16)11(13-9)2-4-12-5-3-11/h7,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyJUQIVIPGZZDEEN-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.25
Rot. Bonds3

About 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate

2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate (PubChem CID 172746602) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate
PubChem CID172746602
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate
SMILESO=C1C=C(CCOC(=O)O)C2(CCNCC2)N1
InChIInChI=1S/C11H16N2O4/c14-9-7-8(1-6-17-10(15)16)11(13-9)2-4-12-5-3-11/h7,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyJUQIVIPGZZDEEN-UHFFFAOYSA-N
XLogP0.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate?
The IUPAC name of 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate (CID 172746602) is 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate?
The canonical SMILES for 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate is O=C1C=C(CCOC(=O)O)C2(CCNCC2)N1.
What is the InChIKey of 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate?
The InChIKey is JUQIVIPGZZDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-7-8(1-6-17-10(15)16)11(13-9)2-4-12-5-3-11/h7,12H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate?
2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate has a molecular weight of 240.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl)ethyl hydrogen carbonate is sourced from PubChem (CID 172746602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).