(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione

C10H14N2O2 — CID 11564647

IUPAC(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione
SMILES[2H]C1([2H])[15NH]C(=O)[C@]2(CC=C)CCCN2C1=O
InChIInChI=1S/C10H14N2O2/c1-2-4-10-5-3-6-12(10)8(13)7-11-9(10)14/h2H,1,3-7H2,(H,11,14)/t10-/m0/s1/i7D2,11+1
InChIKeyWVKCGUOWPZAROG-ALRAAJKBSA-N
MW197.24 g/mol
LogP0.05
Rot. Bonds2

About (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione

(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione (PubChem CID 11564647) has the molecular formula C10H14N2O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione
PubChem CID11564647
Molecular FormulaC10H14N2O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione
SMILES[2H]C1([2H])[15NH]C(=O)[C@]2(CC=C)CCCN2C1=O
InChIInChI=1S/C10H14N2O2/c1-2-4-10-5-3-6-12(10)8(13)7-11-9(10)14/h2H,1,3-7H2,(H,11,14)/t10-/m0/s1/i7D2,11+1
InChIKeyWVKCGUOWPZAROG-ALRAAJKBSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione with MolForge

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Related Compounds

tert-butyl (8aS)-1,4-dioxo-8a-prop-2-enyl-3,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 170260862
(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125426256
(3R)-2-oxo-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 125425353
(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125425373
(8aS)-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 162816568
(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one
CID 89318251
(3S)-3-ethyl-1-[(E)-4-[(3S)-3-ethyl-2-oxopiperidin-3-yl]but-2-enyl]-3-prop-2-enylpiperidin-2-one
CID 146608070
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
3a,4,4-trimethyl-3-prop-2-enyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]indol-2-one
CID 24870090
ethane;1-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 144964545
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
5,5-bis(prop-2-enyl)-(2,4,5,6-13C4)1,3-diazinane-2,4,6-trione
CID 76974294

Frequently Asked Questions

What is the IUPAC name of (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione?
The IUPAC name of (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione (CID 11564647) is (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione.
What is the SMILES notation for (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione?
The canonical SMILES for (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione is [2H]C1([2H])[15NH]C(=O)[C@]2(CC=C)CCCN2C1=O.
What is the InChIKey of (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione?
The InChIKey is WVKCGUOWPZAROG-ALRAAJKBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-4-10-5-3-6-12(10)8(13)7-11-9(10)14/h2H,1,3-7H2,(H,11,14)/t10-/m0/s1/i7D2,11+1.
What are the key properties of (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione?
(8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-3,3-dideuterio-8a-prop-2-enyl-2,6,7,8-tetrahydropyrrolo[1,2-a](415N)pyrazine-1,4-dione is sourced from PubChem (CID 11564647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).