(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one

C13H20N2O — CID 70671242

IUPAC(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one
SMILESC=C1NC2(CCCC2)C(=O)N2CCC[C@@]12C
InChIInChI=1S/C13H20N2O/c1-10-12(2)6-5-9-15(12)11(16)13(14-10)7-3-4-8-13/h14H,1,3-9H2,2H3/t12-/m0/s1
InChIKeyYRVDZUALLZQKEY-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds

About (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one

(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one (PubChem CID 70671242) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one
PubChem CID70671242
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one
SMILESC=C1NC2(CCCC2)C(=O)N2CCC[C@@]12C
InChIInChI=1S/C13H20N2O/c1-10-12(2)6-5-9-15(12)11(16)13(14-10)7-3-4-8-13/h14H,1,3-9H2,2H3/t12-/m0/s1
InChIKeyYRVDZUALLZQKEY-LBPRGKRZSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one?
The IUPAC name of (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one (CID 70671242) is (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one.
What is the SMILES notation for (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one?
The canonical SMILES for (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one is C=C1NC2(CCCC2)C(=O)N2CCC[C@@]12C.
What is the InChIKey of (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one?
The InChIKey is YRVDZUALLZQKEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-12(2)6-5-9-15(12)11(16)13(14-10)7-3-4-8-13/h14H,1,3-9H2,2H3/t12-/m0/s1.
What are the key properties of (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one?
(8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one has a molecular weight of 220.32 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-methyl-1-methylidenespiro[2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3,1'-cyclopentane]-4-one is sourced from PubChem (CID 70671242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).