4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one

C6H10N2O2 — CID 115011464

IUPAC4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one
SMILESO=C1NC2CNCC2CO1
InChIInChI=1S/C6H10N2O2/c9-6-8-5-2-7-1-4(5)3-10-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyAHZWKKKMTFKVAA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.69
Rot. Bonds

About 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one

4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one (PubChem CID 115011464) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one
PubChem CID115011464
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one
SMILESO=C1NC2CNCC2CO1
InChIInChI=1S/C6H10N2O2/c9-6-8-5-2-7-1-4(5)3-10-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyAHZWKKKMTFKVAA-UHFFFAOYSA-N
XLogP-0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-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 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one?
The IUPAC name of 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one (CID 115011464) is 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one.
What is the SMILES notation for 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one?
The canonical SMILES for 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one is O=C1NC2CNCC2CO1.
What is the InChIKey of 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one?
The InChIKey is AHZWKKKMTFKVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-6-8-5-2-7-1-4(5)3-10-6/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one?
4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one is sourced from PubChem (CID 115011464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).