(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

C7H10N2O3 — CID 162816568

IUPAC(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1CNC(=O)[C@@]2(O)CCCN12
InChIInChI=1S/C7H10N2O3/c10-5-4-8-6(11)7(12)2-1-3-9(5)7/h12H,1-4H2,(H,8,11)/t7-/m0/s1
InChIKeyDUAAASIVBNCCOM-ZETCQYMHSA-N
MW170.17 g/mol
LogP-1.57
Rot. Bonds

About (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 162816568) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID162816568
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1CNC(=O)[C@@]2(O)CCCN12
InChIInChI=1S/C7H10N2O3/c10-5-4-8-6(11)7(12)2-1-3-9(5)7/h12H,1-4H2,(H,8,11)/t7-/m0/s1
InChIKeyDUAAASIVBNCCOM-ZETCQYMHSA-N
XLogP-1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

(3R)-8a-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 56953620
4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 66936393
3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 163112483
4-amino-1,5-dioxo-2,3,4,7,8,9-hexahydropyrrolo[1,2-a][1,4]diazepine-9a-carboxylic acid
CID 59105040
1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
CID 68754203
3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione
CID 106211085
5-acetyl-2,5-diazaspiro[3.4]octan-3-one
CID 45273976
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid
CID 107842006
(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione
CID 11564647
10-(hydroxymethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 68784895

Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 162816568) is (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1CNC(=O)[C@@]2(O)CCCN12.
What is the InChIKey of (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is DUAAASIVBNCCOM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-5-4-8-6(11)7(12)2-1-3-9(5)7/h12H,1-4H2,(H,8,11)/t7-/m0/s1.
What are the key properties of (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 162816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).