N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide

C13H21N5O — CID 56748119

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide
SMILESCN1CCN2C[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1
InChIInChI=1S/C13H21N5O/c1-16-4-5-18-7-11(6-12(18)8-16)15-13(19)9-17-3-2-14-10-17/h2-3,10-12H,4-9H2,1H3,(H,15,19)/t11-,12-/m0/s1
InChIKeyCMSYHXSSSNBIGC-RYUDHWBXSA-N
MW263.34 g/mol
LogP-0.61
Rot. Bonds3

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide (PubChem CID 56748119) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide
PubChem CID56748119
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide
SMILESCN1CCN2C[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1
InChIInChI=1S/C13H21N5O/c1-16-4-5-18-7-11(6-12(18)8-16)15-13(19)9-17-3-2-14-10-17/h2-3,10-12H,4-9H2,1H3,(H,15,19)/t11-,12-/m0/s1
InChIKeyCMSYHXSSSNBIGC-RYUDHWBXSA-N
XLogP-0.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide (CID 56748119) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide is CN1CCN2C[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide?
The InChIKey is CMSYHXSSSNBIGC-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N5O/c1-16-4-5-18-7-11(6-12(18)8-16)15-13(19)9-17-3-2-14-10-17/h2-3,10-12H,4-9H2,1H3,(H,15,19)/t11-,12-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 56748119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).