1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one

C17H20N2O2 — CID 118889705

IUPAC1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one
SMILESCOC1=CC12CC1C(c3ccccc3C)NCCN1C2=O
InChIInChI=1S/C17H20N2O2/c1-11-5-3-4-6-12(11)15-13-9-17(10-14(17)21-2)16(20)19(13)8-7-18-15/h3-6,10,13,15,18H,7-9H2,1-2H3
InChIKeyVZKXJVCZCPCRMQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.77
Rot. Bonds2

About 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one

1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one (PubChem CID 118889705) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one.

Molecular Properties

Compound Name1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one
PubChem CID118889705
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one
SMILESCOC1=CC12CC1C(c3ccccc3C)NCCN1C2=O
InChIInChI=1S/C17H20N2O2/c1-11-5-3-4-6-12(11)15-13-9-17(10-14(17)21-2)16(20)19(13)8-7-18-15/h3-6,10,13,15,18H,7-9H2,1-2H3
InChIKeyVZKXJVCZCPCRMQ-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one?
The IUPAC name of 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one (CID 118889705) is 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one.
What is the SMILES notation for 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one?
The canonical SMILES for 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one is COC1=CC12CC1C(c3ccccc3C)NCCN1C2=O.
What is the InChIKey of 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one?
The InChIKey is VZKXJVCZCPCRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-5-3-4-6-12(11)15-13-9-17(10-14(17)21-2)16(20)19(13)8-7-18-15/h3-6,10,13,15,18H,7-9H2,1-2H3.
What are the key properties of 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one?
1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methoxy-1-(2-methylphenyl)spiro[1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,3'-cyclopropene]-6-one is sourced from PubChem (CID 118889705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).