(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one

C7H12N2O — CID 124660740

IUPAC(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
SMILESO=C1C[C@@H]2CNCCN2C1
InChIInChI=1S/C7H12N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6,8H,1-5H2/t6-/m1/s1
InChIKeyDLOIHVAKCZLYEE-ZCFIWIBFSA-N
MW140.19 g/mol
LogP-0.77
Rot. Bonds

About (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one

(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one (PubChem CID 124660740) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one.

Molecular Properties

Compound Name(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
PubChem CID124660740
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
SMILESO=C1C[C@@H]2CNCCN2C1
InChIInChI=1S/C7H12N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6,8H,1-5H2/t6-/m1/s1
InChIKeyDLOIHVAKCZLYEE-ZCFIWIBFSA-N
XLogP-0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one?
The IUPAC name of (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one (CID 124660740) is (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one.
What is the SMILES notation for (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one?
The canonical SMILES for (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one is O=C1C[C@@H]2CNCCN2C1.
What is the InChIKey of (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one?
The InChIKey is DLOIHVAKCZLYEE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6,8H,1-5H2/t6-/m1/s1.
What are the key properties of (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one?
(8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one has a molecular weight of 140.19 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one is sourced from PubChem (CID 124660740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).