ethyl 9-oxoazonane-5-carboxylate

C11H19NO3 — CID 15644040

IUPACethyl 9-oxoazonane-5-carboxylate
SMILESCCOC(=O)C1CCCNC(=O)CCC1
InChIInChI=1S/C11H19NO3/c1-2-15-11(14)9-5-3-7-10(13)12-8-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyREHUUYNZHOZNPQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds2

About ethyl 9-oxoazonane-5-carboxylate

ethyl 9-oxoazonane-5-carboxylate (PubChem CID 15644040) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 9-oxoazonane-5-carboxylate.

Molecular Properties

Compound Nameethyl 9-oxoazonane-5-carboxylate
PubChem CID15644040
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 9-oxoazonane-5-carboxylate
SMILESCCOC(=O)C1CCCNC(=O)CCC1
InChIInChI=1S/C11H19NO3/c1-2-15-11(14)9-5-3-7-10(13)12-8-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyREHUUYNZHOZNPQ-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-oxoazonane-5-carboxylate?
The IUPAC name of ethyl 9-oxoazonane-5-carboxylate (CID 15644040) is ethyl 9-oxoazonane-5-carboxylate.
What is the SMILES notation for ethyl 9-oxoazonane-5-carboxylate?
The canonical SMILES for ethyl 9-oxoazonane-5-carboxylate is CCOC(=O)C1CCCNC(=O)CCC1.
What is the InChIKey of ethyl 9-oxoazonane-5-carboxylate?
The InChIKey is REHUUYNZHOZNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-11(14)9-5-3-7-10(13)12-8-4-6-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of ethyl 9-oxoazonane-5-carboxylate?
ethyl 9-oxoazonane-5-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-oxoazonane-5-carboxylate is sourced from PubChem (CID 15644040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).