7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

C7H11NO3 — CID 146246264

IUPAC7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
SMILESCCN1CC2(COC2)OC1=O
InChIInChI=1S/C7H11NO3/c1-2-8-3-7(4-10-5-7)11-6(8)9/h2-5H2,1H3
InChIKeyHNGDQCNWNHMIOW-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.23
Rot. Bonds1

About 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (PubChem CID 146246264) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
PubChem CID146246264
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
SMILESCCN1CC2(COC2)OC1=O
InChIInChI=1S/C7H11NO3/c1-2-8-3-7(4-10-5-7)11-6(8)9/h2-5H2,1H3
InChIKeyHNGDQCNWNHMIOW-UHFFFAOYSA-N
XLogP0.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one with MolForge

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Related Compounds

7-(methylamino)-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 146326181
3,5-diethyl-5-methyl-1,3-oxazolidin-2-one
CID 22000696
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064735
7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 165131645
3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
CID 105442058
3-ethyl-8-(3-methylsulfanylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707730
3-(3-ethyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoic acid
CID 115065359
5,7-diethyl-2-oxa-5,7-diazaspiro[3.5]nonan-6-one
CID 178099043
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70758115
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The IUPAC name of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (CID 146246264) is 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The canonical SMILES for 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is CCN1CC2(COC2)OC1=O.
What is the InChIKey of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The InChIKey is HNGDQCNWNHMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-8-3-7(4-10-5-7)11-6(8)9/h2-5H2,1H3.
What are the key properties of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one has a molecular weight of 157.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 146246264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).