(4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

C11H16N2O3 — CID 56775308

IUPAC(4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
SMILESCN1C(=O)CO[C@H]2CN(C(=O)C3CC3)C[C@H]21
InChIInChI=1S/C11H16N2O3/c1-12-8-4-13(11(15)7-2-3-7)5-9(8)16-6-10(12)14/h7-9H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyQOKGOCWIFUIPMR-BDAKNGLRSA-N
MW224.26 g/mol
LogP-0.54
Rot. Bonds1

About (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

(4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one (PubChem CID 56775308) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
PubChem CID56775308
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
SMILESCN1C(=O)CO[C@H]2CN(C(=O)C3CC3)C[C@H]21
InChIInChI=1S/C11H16N2O3/c1-12-8-4-13(11(15)7-2-3-7)5-9(8)16-6-10(12)14/h7-9H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyQOKGOCWIFUIPMR-BDAKNGLRSA-N
XLogP-0.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
The IUPAC name of (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one (CID 56775308) is (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one.
What is the SMILES notation for (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
The canonical SMILES for (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one is CN1C(=O)CO[C@H]2CN(C(=O)C3CC3)C[C@H]21.
What is the InChIKey of (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
The InChIKey is QOKGOCWIFUIPMR-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-8-4-13(11(15)7-2-3-7)5-9(8)16-6-10(12)14/h7-9H,2-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
(4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one has a molecular weight of 224.26 g/mol, XLogP of -0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-6-(cyclopropanecarbonyl)-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one is sourced from PubChem (CID 56775308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).