1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C10H17NO2 — CID 118342905

IUPAC1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1OC(C)C2(C)C(C)CC(=O)N12
InChIInChI=1S/C10H17NO2/c1-6-5-9(12)11-8(3)13-7(2)10(6,11)4/h6-8H,5H2,1-4H3
InChIKeyCYQKQQJRMVKRDA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds

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

1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 118342905) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID118342905
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1OC(C)C2(C)C(C)CC(=O)N12
InChIInChI=1S/C10H17NO2/c1-6-5-9(12)11-8(3)13-7(2)10(6,11)4/h6-8H,5H2,1-4H3
InChIKeyCYQKQQJRMVKRDA-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 118414013
CID 118414013
CID 118414083
CID 118414083
CID 118414533
CID 118414533
CID 118414010
CID 118414010
CID 118414154
CID 118414154
CID 118414157
CID 118414157
CID 118414360
CID 118414360
CID 118414393
CID 118414393
CID 118414398
CID 118414398
CID 118414441
CID 118414441
CID 118414495
CID 118414495
CID 118414509
CID 118414509

Frequently Asked Questions

What is the IUPAC name of 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 118342905) is 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1OC(C)C2(C)C(C)CC(=O)N12.
What is the InChIKey of 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is CYQKQQJRMVKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-5-9(12)11-8(3)13-7(2)10(6,11)4/h6-8H,5H2,1-4H3.
What are the key properties of 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,7a-tetramethyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 118342905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).