5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C10H15NO3 — CID 91222289

IUPAC5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCCC1=C(C)CC2C(CO)OC(=O)N12
InChIInChI=1S/C10H15NO3/c1-3-7-6(2)4-8-9(5-12)14-10(13)11(7)8/h8-9,12H,3-5H2,1-2H3
InChIKeyGKZHFNSVWYECKU-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.26
Rot. Bonds2

About 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 91222289) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID91222289
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCCC1=C(C)CC2C(CO)OC(=O)N12
InChIInChI=1S/C10H15NO3/c1-3-7-6(2)4-8-9(5-12)14-10(13)11(7)8/h8-9,12H,3-5H2,1-2H3
InChIKeyGKZHFNSVWYECKU-UHFFFAOYSA-N
XLogP1.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 91222289) is 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is CCC1=C(C)CC2C(CO)OC(=O)N12.
What is the InChIKey of 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is GKZHFNSVWYECKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-7-6(2)4-8-9(5-12)14-10(13)11(7)8/h8-9,12H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 197.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(hydroxymethyl)-6-methyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 91222289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).