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

C11H19NO2 — CID 118414711

IUPAC(7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCCC[C@@H]1CC(=O)N2[C@@H]1COC2(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-8-6-10(13)12-9(8)7-14-11(12,2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyUGMHQKFPJMOJRP-RKDXNWHRSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds2

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

(7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 118414711) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID118414711
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCCC[C@@H]1CC(=O)N2[C@@H]1COC2(C)C
InChIInChI=1S/C11H19NO2/c1-4-5-8-6-10(13)12-9(8)7-14-11(12,2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyUGMHQKFPJMOJRP-RKDXNWHRSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 118414711) is (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CCC[C@@H]1CC(=O)N2[C@@H]1COC2(C)C.
What is the InChIKey of (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is UGMHQKFPJMOJRP-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-8-6-10(13)12-9(8)7-14-11(12,2)3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aS)-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 118414711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).