9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C14H19N3O2 — CID 72866099

IUPAC9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1cnc(CN2CC3(CCOC3)CCC2=O)cn1
InChIInChI=1S/C14H19N3O2/c1-11-6-16-12(7-15-11)8-17-9-14(3-2-13(17)18)4-5-19-10-14/h6-7H,2-5,8-10H2,1H3
InChIKeyVPTGRKVUJASUJO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.31
Rot. Bonds2

About 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72866099) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72866099
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1cnc(CN2CC3(CCOC3)CCC2=O)cn1
InChIInChI=1S/C14H19N3O2/c1-11-6-16-12(7-15-11)8-17-9-14(3-2-13(17)18)4-5-19-10-14/h6-7H,2-5,8-10H2,1H3
InChIKeyVPTGRKVUJASUJO-UHFFFAOYSA-N
XLogP1.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72866099) is 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is Cc1cnc(CN2CC3(CCOC3)CCC2=O)cn1.
What is the InChIKey of 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is VPTGRKVUJASUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-6-16-12(7-15-11)8-17-9-14(3-2-13(17)18)4-5-19-10-14/h6-7H,2-5,8-10H2,1H3.
What are the key properties of 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 261.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methylpyrazin-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72866099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).