(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one

C19H23NO5 — CID 11473430

IUPAC(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
SMILESC=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@]12[C@H](C)OC(=O)N2Cc1ccccc1
InChIInChI=1S/C19H23NO5/c1-5-14-19(15-16(23-14)25-18(3,4)24-15)12(2)22-17(21)20(19)11-13-9-7-6-8-10-13/h5-10,12,14-16H,1,11H2,2-4H3/t12-,14+,15-,16+,19-/m0/s1
InChIKeyPDRZGECDPFECTR-AGKAMYEXSA-N
MW345.40 g/mol
LogP2.83
Rot. Bonds3

About (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one

(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one (PubChem CID 11473430) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one.

Molecular Properties

Compound Name(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
PubChem CID11473430
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one
SMILESC=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@]12[C@H](C)OC(=O)N2Cc1ccccc1
InChIInChI=1S/C19H23NO5/c1-5-14-19(15-16(23-14)25-18(3,4)24-15)12(2)22-17(21)20(19)11-13-9-7-6-8-10-13/h5-10,12,14-16H,1,11H2,2-4H3/t12-,14+,15-,16+,19-/m0/s1
InChIKeyPDRZGECDPFECTR-AGKAMYEXSA-N
XLogP2.83
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one with MolForge

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Related Compounds

[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate
CID 70310665
(2R,6R,8S,9R)-11-benzyl-9-fluoro-1,4,4-trimethyl-3,5,7-trioxa-11-azatricyclo[6.3.0.02,6]undecane
CID 70311634
(3R,3aR,6aS)-2-[(1R)-1-phenylethyl]-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3a,6a-dihydro-3H-[1,3]dioxolo[4,5-d][1,2]oxazol-5-one
CID 10861032
(3R,3aR,6aS)-2-benzyl-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3a,6a-dihydro-3H-[1,3]dioxolo[4,5-d][1,2]oxazol-5-one
CID 15297831
methyl N-[(2-bromophenyl)methyl]-N-[(5R,6R)-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
CID 134971777
(1R,2R,6R,8R)-12-benzyl-4,4-dimethyl-3,5,7-trioxa-12-azatricyclo[6.4.0.02,6]dodec-9-ene
CID 162416170
[(3aR,4S,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl formate
CID 10661241
[(3aR,4S,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl acetate
CID 10662361
[(4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-benzyl-N-methylcarbamate
CID 54554838
5-Benzyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium-5-carboxylate
CID 87210310
(4R)-3-benzyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
CID 10590550
(4R)-3-benzyl-4-[(4R,5S)-5-(chloromethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
CID 10616075

Frequently Asked Questions

What is the IUPAC name of (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
The IUPAC name of (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one (CID 11473430) is (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one.
What is the SMILES notation for (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
The canonical SMILES for (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one is C=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@]12[C@H](C)OC(=O)N2Cc1ccccc1.
What is the InChIKey of (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
The InChIKey is PDRZGECDPFECTR-AGKAMYEXSA-N. The full InChI is InChI=1S/C19H23NO5/c1-5-14-19(15-16(23-14)25-18(3,4)24-15)12(2)22-17(21)20(19)11-13-9-7-6-8-10-13/h5-10,12,14-16H,1,11H2,2-4H3/t12-,14+,15-,16+,19-/m0/s1.
What are the key properties of (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one?
(3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one has a molecular weight of 345.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,4S,5S,5'R,6'aR)-3-benzyl-5'-ethenyl-2',2',5-trimethylspiro[1,3-oxazolidine-4,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-one is sourced from PubChem (CID 11473430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).