(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C12H19NO2 — CID 70891075

IUPAC(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1C(=O)N2[C@H](COC2(C)C)[C@@H]1C1CC1
InChIInChI=1S/C12H19NO2/c1-7-10(8-4-5-8)9-6-15-12(2,3)13(9)11(7)14/h7-10H,4-6H2,1-3H3/t7?,9-,10+/m1/s1
InChIKeyNWVVTVJDOCFBGF-MKSVKPQVSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds1

About (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 70891075) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID70891075
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1C(=O)N2[C@H](COC2(C)C)[C@@H]1C1CC1
InChIInChI=1S/C12H19NO2/c1-7-10(8-4-5-8)9-6-15-12(2,3)13(9)11(7)14/h7-10H,4-6H2,1-3H3/t7?,9-,10+/m1/s1
InChIKeyNWVVTVJDOCFBGF-MKSVKPQVSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 70891075) is (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1C(=O)N2[C@H](COC2(C)C)[C@@H]1C1CC1.
What is the InChIKey of (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is NWVVTVJDOCFBGF-MKSVKPQVSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-10(8-4-5-8)9-6-15-12(2,3)13(9)11(7)14/h7-10H,4-6H2,1-3H3/t7?,9-,10+/m1/s1.
What are the key properties of (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 209.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 70891075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).