3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

C15H20N4O3 — CID 124997263

IUPAC3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cncc([C@@H]2CCCN2)n1
InChIInChI=1S/C15H20N4O3/c20-14-19(10-15(22-14)3-6-21-7-4-15)13-9-16-8-12(18-13)11-2-1-5-17-11/h8-9,11,17H,1-7,10H2/t11-/m0/s1
InChIKeyQYWNDJJJYAGYRN-NSHDSACASA-N
MW304.35 g/mol
LogP1.41
Rot. Bonds2

About 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 124997263) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID124997263
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cncc([C@@H]2CCCN2)n1
InChIInChI=1S/C15H20N4O3/c20-14-19(10-15(22-14)3-6-21-7-4-15)13-9-16-8-12(18-13)11-2-1-5-17-11/h8-9,11,17H,1-7,10H2/t11-/m0/s1
InChIKeyQYWNDJJJYAGYRN-NSHDSACASA-N
XLogP1.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 124997263) is 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCOCC2)CN1c1cncc([C@@H]2CCCN2)n1.
What is the InChIKey of 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is QYWNDJJJYAGYRN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14-19(10-15(22-14)3-6-21-7-4-15)13-9-16-8-12(18-13)11-2-1-5-17-11/h8-9,11,17H,1-7,10H2/t11-/m0/s1.
What are the key properties of 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 304.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 124997263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).