7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione

C15H19N3O3S — CID 163061420

IUPAC7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
SMILESCN1C(=O)C2CC(O)CN2C2(CN(Cc3cccs3)C2)C1=O
InChIInChI=1S/C15H19N3O3S/c1-16-13(20)12-5-10(19)6-18(12)15(14(16)21)8-17(9-15)7-11-3-2-4-22-11/h2-4,10,12,19H,5-9H2,1H3
InChIKeyFVFHXEACLXEMII-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.26
Rot. Bonds2

About 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione

7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione (PubChem CID 163061420) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione.

Molecular Properties

Compound Name7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
PubChem CID163061420
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
SMILESCN1C(=O)C2CC(O)CN2C2(CN(Cc3cccs3)C2)C1=O
InChIInChI=1S/C15H19N3O3S/c1-16-13(20)12-5-10(19)6-18(12)15(14(16)21)8-17(9-15)7-11-3-2-4-22-11/h2-4,10,12,19H,5-9H2,1H3
InChIKeyFVFHXEACLXEMII-UHFFFAOYSA-N
XLogP-0.26
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione with MolForge

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Related Compounds

(7R,8aS)-1'-benzyl-7-hydroxy-2-[(5-methylfuran-2-yl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100615459
2-butyl-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 162792655
2-[(2-fluorophenyl)methyl]-7-hydroxy-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 162943218
(7R,8aS)-7-hydroxy-1'-[(3-methoxyphenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100633622
7-hydroxy-1'-(2-methylpropyl)-2-(pyridin-3-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 163037565
1'-[(2-chlorophenyl)methyl]-7-hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 162980193
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl 4-[[(7R,8aS)-7-hydroxy-1'-(2-methylpropyl)-1,3-dioxospiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl]methyl]benzoate
CID 100615075
(7R,8aS)-7-hydroxy-1'-(1H-imidazol-5-ylmethyl)-2-[(4-methoxyphenyl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100612064
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
methyl 2-(7-hydroxy-1,3-dioxo-1'-propan-2-ylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-2-yl)acetate
CID 162960595
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
The IUPAC name of 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione (CID 163061420) is 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione.
What is the SMILES notation for 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
The canonical SMILES for 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione is CN1C(=O)C2CC(O)CN2C2(CN(Cc3cccs3)C2)C1=O.
What is the InChIKey of 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
The InChIKey is FVFHXEACLXEMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-16-13(20)12-5-10(19)6-18(12)15(14(16)21)8-17(9-15)7-11-3-2-4-22-11/h2-4,10,12,19H,5-9H2,1H3.
What are the key properties of 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione has a molecular weight of 321.40 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-1'-(thiophen-2-ylmethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione is sourced from PubChem (CID 163061420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).