1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one

C10H18N2O2 — CID 84774948

IUPAC1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)OCC12CCCNCC2
InChIInChI=1S/C10H18N2O2/c1-2-12-9(13)14-8-10(12)4-3-6-11-7-5-10/h11H,2-8H2,1H3
InChIKeyVNIZCZWEJUZIMA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds1

About 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one

1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 84774948) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID84774948
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESCCN1C(=O)OCC12CCCNCC2
InChIInChI=1S/C10H18N2O2/c1-2-12-9(13)14-8-10(12)4-3-6-11-7-5-10/h11H,2-8H2,1H3
InChIKeyVNIZCZWEJUZIMA-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one (CID 84774948) is 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one is CCN1C(=O)OCC12CCCNCC2.
What is the InChIKey of 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is VNIZCZWEJUZIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-12-9(13)14-8-10(12)4-3-6-11-7-5-10/h11H,2-8H2,1H3.
What are the key properties of 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 84774948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).