(3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione

C9H10N2O3 — CID 163193973

IUPAC(3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC[C@H](O)[C@@H]1NC(=O)c2cccn2C1=O
InChIInChI=1S/C9H10N2O3/c1-5(12)7-9(14)11-4-2-3-6(11)8(13)10-7/h2-5,7,12H,1H3,(H,10,13)/t5-,7-/m0/s1
InChIKeyXUJFYVBSGKFTJR-FSPLSTOPSA-N
MW194.19 g/mol
LogP-0.38
Rot. Bonds1

About (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione

(3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 163193973) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID163193973
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC[C@H](O)[C@@H]1NC(=O)c2cccn2C1=O
InChIInChI=1S/C9H10N2O3/c1-5(12)7-9(14)11-4-2-3-6(11)8(13)10-7/h2-5,7,12H,1H3,(H,10,13)/t5-,7-/m0/s1
InChIKeyXUJFYVBSGKFTJR-FSPLSTOPSA-N
XLogP-0.38
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 163193973) is (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione is C[C@H](O)[C@@H]1NC(=O)c2cccn2C1=O.
What is the InChIKey of (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is XUJFYVBSGKFTJR-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5(12)7-9(14)11-4-2-3-6(11)8(13)10-7/h2-5,7,12H,1H3,(H,10,13)/t5-,7-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione?
(3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 194.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-hydroxyethyl]-2,3-dihydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 163193973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).