N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide

C11H18N4O — CID 82863860

IUPACN'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESN/C(=N\C1CC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C11H18N4O/c12-11(13-8-1-2-8)14-5-6-15-9(7-14)3-4-10(15)16/h8-9H,1-7H2,(H2,12,13)
InChIKeyRESGGDOPTBUEFS-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.23
Rot. Bonds1

About N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide

N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (PubChem CID 82863860) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
PubChem CID82863860
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESN/C(=N\C1CC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C11H18N4O/c12-11(13-8-1-2-8)14-5-6-15-9(7-14)3-4-10(15)16/h8-9H,1-7H2,(H2,12,13)
InChIKeyRESGGDOPTBUEFS-UHFFFAOYSA-N
XLogP-0.23
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (CID 82863860) is N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is N/C(=N\C1CC1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is RESGGDOPTBUEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-11(13-8-1-2-8)14-5-6-15-9(7-14)3-4-10(15)16/h8-9H,1-7H2,(H2,12,13).
What are the key properties of N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 82863860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).