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

C10H17NO2 — CID 59097255

IUPAC(6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1[C@H](C)C(=O)N2[C@@H]1COC2(C)C
InChIInChI=1S/C10H17NO2/c1-6-7(2)9(12)11-8(6)5-13-10(11,3)4/h6-8H,5H2,1-4H3/t6-,7-,8+/m0/s1
InChIKeyJLCNWWACVRIEKK-BIIVOSGPSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds

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

(6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 59097255) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID59097255
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1[C@H](C)C(=O)N2[C@@H]1COC2(C)C
InChIInChI=1S/C10H17NO2/c1-6-7(2)9(12)11-8(6)5-13-10(11,3)4/h6-8H,5H2,1-4H3/t6-,7-,8+/m0/s1
InChIKeyJLCNWWACVRIEKK-BIIVOSGPSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 59097255) is (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is C[C@H]1[C@H](C)C(=O)N2[C@@H]1COC2(C)C.
What is the InChIKey of (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is JLCNWWACVRIEKK-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7(2)9(12)11-8(6)5-13-10(11,3)4/h6-8H,5H2,1-4H3/t6-,7-,8+/m0/s1.
What are the key properties of (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,7aS)-3,3,6,7-tetramethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 59097255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).