1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one

C10H17NO2 — CID 118342904

IUPAC1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OC(C)(C)N2C(=O)CCC21
InChIInChI=1S/C10H17NO2/c1-9(2)7-5-6-8(12)11(7)10(3,4)13-9/h7H,5-6H2,1-4H3
InChIKeyRWOQFKXYFHJEOQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.52
Rot. Bonds

About 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one

1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 118342904) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID118342904
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OC(C)(C)N2C(=O)CCC21
InChIInChI=1S/C10H17NO2/c1-9(2)7-5-6-8(12)11(7)10(3,4)13-9/h7H,5-6H2,1-4H3
InChIKeyRWOQFKXYFHJEOQ-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 118342904) is 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one is CC1(C)OC(C)(C)N2C(=O)CCC21.
What is the InChIKey of 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is RWOQFKXYFHJEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)7-5-6-8(12)11(7)10(3,4)13-9/h7H,5-6H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one?
1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-7,7a-dihydro-6H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 118342904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).