(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione

C18H21NO6 — CID 11667389

IUPAC(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
SMILESCCc1cccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4C3=O)OC2=O)c1
InChIInChI=1S/C18H21NO6/c1-4-11-6-5-7-12(8-11)19-10-18(25-16(19)21)15(20)14-13(9-22-18)23-17(2,3)24-14/h5-8,13-14H,4,9-10H2,1-3H3/t13-,14-,18+/m1/s1
InChIKeyGKFNWYKJFGOZRN-LBTNJELSSA-N
MW347.37 g/mol
LogP2.02
Rot. Bonds2

About (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione

(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione (PubChem CID 11667389) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione.

Molecular Properties

Compound Name(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
PubChem CID11667389
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
SMILESCCc1cccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4C3=O)OC2=O)c1
InChIInChI=1S/C18H21NO6/c1-4-11-6-5-7-12(8-11)19-10-18(25-16(19)21)15(20)14-13(9-22-18)23-17(2,3)24-14/h5-8,13-14H,4,9-10H2,1-3H3/t13-,14-,18+/m1/s1
InChIKeyGKFNWYKJFGOZRN-LBTNJELSSA-N
XLogP2.02
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
The IUPAC name of (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione (CID 11667389) is (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione.
What is the SMILES notation for (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
The canonical SMILES for (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione is CCc1cccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4C3=O)OC2=O)c1.
What is the InChIKey of (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
The InChIKey is GKFNWYKJFGOZRN-LBTNJELSSA-N. The full InChI is InChI=1S/C18H21NO6/c1-4-11-6-5-7-12(8-11)19-10-18(25-16(19)21)15(20)14-13(9-22-18)23-17(2,3)24-14/h5-8,13-14H,4,9-10H2,1-3H3/t13-,14-,18+/m1/s1.
What are the key properties of (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
(3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione has a molecular weight of 347.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S,7'aR)-3-(3-ethylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione is sourced from PubChem (CID 11667389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).