(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

C7H11NO2 — CID 639487

IUPAC(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESC[C@@]12CCC(=O)N1CCO2
InChIInChI=1S/C7H11NO2/c1-7-3-2-6(9)8(7)4-5-10-7/h2-5H2,1H3/t7-/m1/s1
InChIKeySPSXZGPROALKAP-SSDOTTSWSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds

About (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one

(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (PubChem CID 639487) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
PubChem CID639487
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESC[C@@]12CCC(=O)N1CCO2
InChIInChI=1S/C7H11NO2/c1-7-3-2-6(9)8(7)4-5-10-7/h2-5H2,1H3/t7-/m1/s1
InChIKeySPSXZGPROALKAP-SSDOTTSWSA-N
XLogP0.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The IUPAC name of (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (CID 639487) is (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.
What is the SMILES notation for (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The canonical SMILES for (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is C[C@@]12CCC(=O)N1CCO2.
What is the InChIKey of (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The InChIKey is SPSXZGPROALKAP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7-3-2-6(9)8(7)4-5-10-7/h2-5H2,1H3/t7-/m1/s1.
What are the key properties of (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
(7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is sourced from PubChem (CID 639487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).