(8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one

C7H9NO3 — CID 93495866

IUPAC(8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
SMILESO=C1C=C[C@]2(O)COCCN12
InChIInChI=1S/C7H9NO3/c9-6-1-2-7(10)5-11-4-3-8(6)7/h1-2,10H,3-5H2/t7-/m0/s1
InChIKeyITVCGHUZGYKPIL-ZETCQYMHSA-N
MW155.15 g/mol
LogP-0.90
Rot. Bonds

About (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one

(8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one (PubChem CID 93495866) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name(8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
PubChem CID93495866
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
SMILESO=C1C=C[C@]2(O)COCCN12
InChIInChI=1S/C7H9NO3/c9-6-1-2-7(10)5-11-4-3-8(6)7/h1-2,10H,3-5H2/t7-/m0/s1
InChIKeyITVCGHUZGYKPIL-ZETCQYMHSA-N
XLogP-0.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrrol-2-one
CID 164781903
8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
CID 45083129
(8aR)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
CID 93495867

Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
The IUPAC name of (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one (CID 93495866) is (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one is O=C1C=C[C@]2(O)COCCN12.
What is the InChIKey of (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
The InChIKey is ITVCGHUZGYKPIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-1-2-7(10)5-11-4-3-8(6)7/h1-2,10H,3-5H2/t7-/m0/s1.
What are the key properties of (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
(8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one has a molecular weight of 155.15 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 93495866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).