5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one

C18H30N2O — CID 83248334

IUPAC5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1CCC(N2C(=O)C3(CC3)NC2C2CCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-13-7-9-15(10-8-13)20-16(14-5-3-4-6-14)19-18(11-12-18)17(20)21/h13-16,19H,2-12H2,1H3
InChIKeySDKPBOJIQLBZDM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds3

About 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248334) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248334
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1CCC(N2C(=O)C3(CC3)NC2C2CCCC2)CC1
InChIInChI=1S/C18H30N2O/c1-2-13-7-9-15(10-8-13)20-16(14-5-3-4-6-14)19-18(11-12-18)17(20)21/h13-16,19H,2-12H2,1H3
InChIKeySDKPBOJIQLBZDM-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248334) is 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one is CCC1CCC(N2C(=O)C3(CC3)NC2C2CCCC2)CC1.
What is the InChIKey of 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is SDKPBOJIQLBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-13-7-9-15(10-8-13)20-16(14-5-3-4-6-14)19-18(11-12-18)17(20)21/h13-16,19H,2-12H2,1H3.
What are the key properties of 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 290.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).