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

C7H12N2O3 — CID 130756844

IUPAC(7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
SMILESO=C1CNC[C@@H]2[C@@H](O)[C@H](O)CN12
InChIInChI=1S/C7H12N2O3/c10-5-3-9-4(7(5)12)1-8-2-6(9)11/h4-5,7-8,10,12H,1-3H2/t4-,5-,7-/m1/s1
InChIKeyABEVVUQPNGOYGU-WYDQCIBASA-N
MW172.18 g/mol
LogP-2.48
Rot. Bonds

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

(7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one (PubChem CID 130756844) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
PubChem CID130756844
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
SMILESO=C1CNC[C@@H]2[C@@H](O)[C@H](O)CN12
InChIInChI=1S/C7H12N2O3/c10-5-3-9-4(7(5)12)1-8-2-6(9)11/h4-5,7-8,10,12H,1-3H2/t4-,5-,7-/m1/s1
InChIKeyABEVVUQPNGOYGU-WYDQCIBASA-N
XLogP-2.48
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-2.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002769
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938
(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
CID 57404475
(7S)-7-ethyl-1,4-diazabicyclo[4.1.0]heptan-2-one
CID 122463214
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 82026816
6-ethyl-1-methyl-1,4-diazepan-2-one
CID 135123090
(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71762935
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
6-hydroxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-2-one;hydrochloride
CID 122540096
2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002748
6-tert-butyl-1-methylpiperazin-2-one
CID 83695429

Frequently Asked Questions

What is the IUPAC name of (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one (CID 130756844) is (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one is O=C1CNC[C@@H]2[C@@H](O)[C@H](O)CN12.
What is the InChIKey of (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is ABEVVUQPNGOYGU-WYDQCIBASA-N. The full InChI is InChI=1S/C7H12N2O3/c10-5-3-9-4(7(5)12)1-8-2-6(9)11/h4-5,7-8,10,12H,1-3H2/t4-,5-,7-/m1/s1.
What are the key properties of (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
(7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 172.18 g/mol, XLogP of -2.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R,8aR)-7,8-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 130756844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).