1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one

C20H25ClN2O4 — CID 110152080

IUPAC1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1
InChIInChI=1S/C20H25ClN2O4/c21-15-4-1-5-16(10-15)27-17-11-20(26-13-17)7-3-9-23(14-20)19(25)12-22-8-2-6-18(22)24/h1,4-5,10,17H,2-3,6-9,11-14H2/t17-,20-/m1/s1
InChIKeyDGIOJATUNNWOOO-YLJYHZDGSA-N
MW392.88 g/mol
LogP2.49
Rot. Bonds4

About 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 110152080) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID110152080
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1
InChIInChI=1S/C20H25ClN2O4/c21-15-4-1-5-16(10-15)27-17-11-20(26-13-17)7-3-9-23(14-20)19(25)12-22-8-2-6-18(22)24/h1,4-5,10,17H,2-3,6-9,11-14H2/t17-,20-/m1/s1
InChIKeyDGIOJATUNNWOOO-YLJYHZDGSA-N
XLogP2.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one (CID 110152080) is 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1.
What is the InChIKey of 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is DGIOJATUNNWOOO-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c21-15-4-1-5-16(10-15)27-17-11-20(26-13-17)7-3-9-23(14-20)19(25)12-22-8-2-6-18(22)24/h1,4-5,10,17H,2-3,6-9,11-14H2/t17-,20-/m1/s1.
What are the key properties of 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 392.88 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 110152080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).