(8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one

C11H16N2O — CID 70296352

IUPAC(8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
SMILESO=C1CNC(=C2CCC2)[C@@H]2CCCN12
InChIInChI=1S/C11H16N2O/c14-10-7-12-11(8-3-1-4-8)9-5-2-6-13(9)10/h9,12H,1-7H2/t9-/m0/s1
InChIKeyVLTQYLLGYVMBTN-VIFPVBQESA-N
MW192.26 g/mol
LogP1.02
Rot. Bonds

About (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one

(8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one (PubChem CID 70296352) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name(8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
PubChem CID70296352
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
SMILESO=C1CNC(=C2CCC2)[C@@H]2CCCN12
InChIInChI=1S/C11H16N2O/c14-10-7-12-11(8-3-1-4-8)9-5-2-6-13(9)10/h9,12H,1-7H2/t9-/m0/s1
InChIKeyVLTQYLLGYVMBTN-VIFPVBQESA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one (CID 70296352) is (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one is O=C1CNC(=C2CCC2)[C@@H]2CCCN12.
What is the InChIKey of (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is VLTQYLLGYVMBTN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c14-10-7-12-11(8-3-1-4-8)9-5-2-6-13(9)10/h9,12H,1-7H2/t9-/m0/s1.
What are the key properties of (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one?
(8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1-cyclobutylidene-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 70296352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).