(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide

C15H19N3O3 — CID 155188222

IUPAC(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide
SMILESCC1COC2CC[C@@H](C(=O)NNc3ccccc3)N2C1=O
InChIInChI=1S/C15H19N3O3/c1-10-9-21-13-8-7-12(18(13)15(10)20)14(19)17-16-11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,19)/t10?,12-,13?/m0/s1
InChIKeyRAKMIFWUXVOMPD-YDGIUTOCSA-N
MW289.33 g/mol
LogP1.11
Rot. Bonds3

About (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide

(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide (PubChem CID 155188222) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide.

Molecular Properties

Compound Name(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide
PubChem CID155188222
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide
SMILESCC1COC2CC[C@@H](C(=O)NNc3ccccc3)N2C1=O
InChIInChI=1S/C15H19N3O3/c1-10-9-21-13-8-7-12(18(13)15(10)20)14(19)17-16-11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,19)/t10?,12-,13?/m0/s1
InChIKeyRAKMIFWUXVOMPD-YDGIUTOCSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]-2-(methylamino)propanamide;2,2,2-trifluoroacetic acid
CID 146026954
(2S)-N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]-2-(methylamino)propanamide
CID 118478165
N-[(6S)-6-(anilinocarbamoyl)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-3-yl]acetamide
CID 118478168
(2S,5E)-5-ethylidene-1-(3-hydroxy-2-methylpropanoyl)-N'-phenylpyrrolidine-2-carbohydrazide
CID 126712457
(6S)-3,8a-dimethyl-4-oxo-N'-phenyl-3,6,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide
CID 126712492
(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen
CID 144973570
Aniline;3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
CID 144973576
(2R)-2-amino-N-[[(6S)-6-(anilinocarbamoyl)-4-oxo-8a-sulfanyl-3,6,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-3-yl]methyl]-2-(methylamino)acetamide
CID 167018824
(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide
CID 144973571

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide?
The IUPAC name of (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide (CID 155188222) is (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide.
What is the SMILES notation for (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide?
The canonical SMILES for (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide is CC1COC2CC[C@@H](C(=O)NNc3ccccc3)N2C1=O.
What is the InChIKey of (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide?
The InChIKey is RAKMIFWUXVOMPD-YDGIUTOCSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-9-21-13-8-7-12(18(13)15(10)20)14(19)17-16-11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,19)/t10?,12-,13?/m0/s1.
What are the key properties of (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide?
(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide has a molecular weight of 289.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide is sourced from PubChem (CID 155188222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).