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

C6H9NO2 — CID 14765443

IUPAC3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
SMILESO=C1CCC2OCCN12
InChIInChI=1S/C6H9NO2/c8-5-1-2-6-7(5)3-4-9-6/h6H,1-4H2
InChIKeyFGQMUZRXCXGQDA-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.03
Rot. Bonds

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

3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one (PubChem CID 14765443) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
PubChem CID14765443
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
SMILESO=C1CCC2OCCN12
InChIInChI=1S/C6H9NO2/c8-5-1-2-6-7(5)3-4-9-6/h6H,1-4H2
InChIKeyFGQMUZRXCXGQDA-UHFFFAOYSA-N
XLogP-0.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,7aR)-Tetrahydro-3-(1-methylethyl)pyrrolo(2,1-b)oxazol-5(6H)-one
CID 367099
(3R,7aS)-3,7a-dimethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 15722749
(3S,7aR)-3-propyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 134987653
3-Isopropyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
CID 494913
(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 639487
7a-Methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 15930888
1-[4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]butyl]pyrrolidin-2-one
CID 67624832
(3R,6S,7aR)-6-methyl-3-propan-2-yl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 89965153
(3R,6S,7aR)-3,6-dimethyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 143577763
7a-Ethyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
CID 15930889
(3R,7aS)-3-propan-2-yl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 55250407
2-methyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 91666029

Frequently Asked Questions

What is the IUPAC name of 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one?
The IUPAC name of 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one (CID 14765443) is 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one.
What is the SMILES notation for 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one?
The canonical SMILES for 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one is O=C1CCC2OCCN12.
What is the InChIKey of 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one?
The InChIKey is FGQMUZRXCXGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5-1-2-6-7(5)3-4-9-6/h6H,1-4H2.
What are the key properties of 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one?
3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one has a molecular weight of 127.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one is sourced from PubChem (CID 14765443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).