3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one

C11H18N2O — CID 58553961

IUPAC3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one
SMILESCCC1=NC2(CCCCCC2)NC1=O
InChIInChI=1S/C11H18N2O/c1-2-9-10(14)13-11(12-9)7-5-3-4-6-8-11/h2-8H2,1H3,(H,13,14)
InChIKeyXACOPKSVGWEPFP-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds1

About 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one

3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 58553961) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one
PubChem CID58553961
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one
SMILESCCC1=NC2(CCCCCC2)NC1=O
InChIInChI=1S/C11H18N2O/c1-2-9-10(14)13-11(12-9)7-5-3-4-6-8-11/h2-8H2,1H3,(H,13,14)
InChIKeyXACOPKSVGWEPFP-UHFFFAOYSA-N
XLogP2.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one (CID 58553961) is 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one is CCC1=NC2(CCCCCC2)NC1=O.
What is the InChIKey of 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is XACOPKSVGWEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-9-10(14)13-11(12-9)7-5-3-4-6-8-11/h2-8H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one?
3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 58553961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).