(7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one

C11H17NO2 — CID 134955059

IUPAC(7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one
SMILESC[C@@H]1CC(=O)N2[C@@H]1COC21CCCC1
InChIInChI=1S/C11H17NO2/c1-8-6-10(13)12-9(8)7-14-11(12)4-2-3-5-11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyFBJATQGJQHDPFZ-RKDXNWHRSA-N
MW195.26 g/mol
LogP1.52
Rot. Bonds

About (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one

(7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one (PubChem CID 134955059) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one.

Molecular Properties

Compound Name(7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one
PubChem CID134955059
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one
SMILESC[C@@H]1CC(=O)N2[C@@H]1COC21CCCC1
InChIInChI=1S/C11H17NO2/c1-8-6-10(13)12-9(8)7-14-11(12)4-2-3-5-11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyFBJATQGJQHDPFZ-RKDXNWHRSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Butyl-6a-methylhexahydro-5h-furo[2,3-b]pyrrol-5-one
CID 281860
(S)-3,3-Dimethyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 10898929
(3S-cis)-(+)-Tetrahydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 853157
(7aS)-3,3-dimethyl-hexahydropyrrolo(1,2-c)(1,3)oxazol-5-one
CID 13746928
(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414013
3-Isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
CID 495124
(3R,7AS)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
CID 928831
(7R,7aS)-7-Ethyl-3,3-dimethyl-hexahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414083
(7R,7AS)-3,3,7-Trimethyltetrahydro-3H,5H-pyrrolo[1,2-C]oxazol-5-one
CID 118414533
(7aR)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 370776
(7aS)-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 11008405
6-Fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70126276

Frequently Asked Questions

What is the IUPAC name of (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one?
The IUPAC name of (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one (CID 134955059) is (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one.
What is the SMILES notation for (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one?
The canonical SMILES for (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one is C[C@@H]1CC(=O)N2[C@@H]1COC21CCCC1.
What is the InChIKey of (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one?
The InChIKey is FBJATQGJQHDPFZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-6-10(13)12-9(8)7-14-11(12)4-2-3-5-11/h8-9H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one?
(7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one has a molecular weight of 195.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aS)-7-methylspiro[1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,1'-cyclopentane]-5-one is sourced from PubChem (CID 134955059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).