1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone

C13H21NO3 — CID 130782080

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone
SMILESCC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21NO3/c1-2-10-8-11(10)12(15)14-5-3-4-13(9-14)16-6-7-17-13/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyRURWXUKZKMNYIT-GHMZBOCLSA-N
MW239.31 g/mol
LogP1.40
Rot. Bonds2

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone (PubChem CID 130782080) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone
PubChem CID130782080
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone
SMILESCC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21NO3/c1-2-10-8-11(10)12(15)14-5-3-4-13(9-14)16-6-7-17-13/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyRURWXUKZKMNYIT-GHMZBOCLSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone with MolForge

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Related Compounds

2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103163779
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
CID 115775416
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112602810
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
CID 97246391
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
CID 75391503

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone (CID 130782080) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone is CC[C@@H]1C[C@H]1C(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone?
The InChIKey is RURWXUKZKMNYIT-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-10-8-11(10)12(15)14-5-3-4-13(9-14)16-6-7-17-13/h10-11H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone has a molecular weight of 239.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone is sourced from PubChem (CID 130782080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).