2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide

C14H23N3O3 — CID 56775362

IUPAC2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide
SMILESNC(=O)CN1C(=O)CO[C@H]2CN(C3CCCCC3)C[C@H]21
InChIInChI=1S/C14H23N3O3/c15-13(18)8-17-11-6-16(10-4-2-1-3-5-10)7-12(11)20-9-14(17)19/h10-12H,1-9H2,(H2,15,18)/t11-,12+/m1/s1
InChIKeyVVFGRJNUVDEPPB-NEPJUHHUSA-N
MW281.36 g/mol
LogP-0.28
Rot. Bonds3

About 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide

2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide (PubChem CID 56775362) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide
PubChem CID56775362
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide
SMILESNC(=O)CN1C(=O)CO[C@H]2CN(C3CCCCC3)C[C@H]21
InChIInChI=1S/C14H23N3O3/c15-13(18)8-17-11-6-16(10-4-2-1-3-5-10)7-12(11)20-9-14(17)19/h10-12H,1-9H2,(H2,15,18)/t11-,12+/m1/s1
InChIKeyVVFGRJNUVDEPPB-NEPJUHHUSA-N
XLogP-0.28
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide?
The IUPAC name of 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide (CID 56775362) is 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide.
What is the SMILES notation for 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide?
The canonical SMILES for 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide is NC(=O)CN1C(=O)CO[C@H]2CN(C3CCCCC3)C[C@H]21.
What is the InChIKey of 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide?
The InChIKey is VVFGRJNUVDEPPB-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N3O3/c15-13(18)8-17-11-6-16(10-4-2-1-3-5-10)7-12(11)20-9-14(17)19/h10-12H,1-9H2,(H2,15,18)/t11-,12+/m1/s1.
What are the key properties of 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide?
2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide has a molecular weight of 281.36 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,7aS)-6-cyclohexyl-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide is sourced from PubChem (CID 56775362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).