1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one

C15H21N3O4 — CID 122084613

IUPAC1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1
InChIInChI=1S/C15H21N3O4/c1-10-5-11(19)6-14(20)18(10)9-15(21)17-7-12-13(8-17)22-4-3-16(12)2/h5-6,12-13,19H,3-4,7-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyLKJSLFYXSUDJNB-QWHCGFSZSA-N
MW307.35 g/mol
LogP-0.60
Rot. Bonds2

About 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one

1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 122084613) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID122084613
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1
InChIInChI=1S/C15H21N3O4/c1-10-5-11(19)6-14(20)18(10)9-15(21)17-7-12-13(8-17)22-4-3-16(12)2/h5-6,12-13,19H,3-4,7-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyLKJSLFYXSUDJNB-QWHCGFSZSA-N
XLogP-0.60
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one (CID 122084613) is 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1.
What is the InChIKey of 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is LKJSLFYXSUDJNB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-5-11(19)6-14(20)18(10)9-15(21)17-7-12-13(8-17)22-4-3-16(12)2/h5-6,12-13,19H,3-4,7-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 307.35 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 122084613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).