6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C10H16N2O2 — CID 55253879

IUPAC6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OCC2CC(N3CCCC3)CN12
InChIInChI=1S/C10H16N2O2/c13-10-12-6-8(5-9(12)7-14-10)11-3-1-2-4-11/h8-9H,1-7H2
InChIKeyUNLSJKFEFKDSDW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.68
Rot. Bonds1

About 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 55253879) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID55253879
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OCC2CC(N3CCCC3)CN12
InChIInChI=1S/C10H16N2O2/c13-10-12-6-8(5-9(12)7-14-10)11-3-1-2-4-11/h8-9H,1-7H2
InChIKeyUNLSJKFEFKDSDW-UHFFFAOYSA-N
XLogP0.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 55253879) is 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is O=C1OCC2CC(N3CCCC3)CN12.
What is the InChIKey of 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is UNLSJKFEFKDSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10-12-6-8(5-9(12)7-14-10)11-3-1-2-4-11/h8-9H,1-7H2.
What are the key properties of 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 55253879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).