(3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione

C19H23NO6 — CID 134837818

IUPAC(3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
SMILESCc1cc(C)cc(N2C[C@]3(OCC2=O)OC[C@@H]2OC(C)(C)O[C@@H]2C3=O)c1
InChIInChI=1S/C19H23NO6/c1-11-5-12(2)7-13(6-11)20-10-19(24-9-15(20)21)17(22)16-14(8-23-19)25-18(3,4)26-16/h5-7,14,16H,8-10H2,1-4H3/t14-,16-,19+/m0/s1
InChIKeyRTMIZCXHHVGLJC-URLQWDBASA-N
MW361.39 g/mol
LogP1.48
Rot. Bonds1

About (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione

(3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione (PubChem CID 134837818) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione.

Molecular Properties

Compound Name(3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
PubChem CID134837818
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name(3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
SMILESCc1cc(C)cc(N2C[C@]3(OCC2=O)OC[C@@H]2OC(C)(C)O[C@@H]2C3=O)c1
InChIInChI=1S/C19H23NO6/c1-11-5-12(2)7-13(6-11)20-10-19(24-9-15(20)21)17(22)16-14(8-23-19)25-18(3,4)26-16/h5-7,14,16H,8-10H2,1-4H3/t14-,16-,19+/m0/s1
InChIKeyRTMIZCXHHVGLJC-URLQWDBASA-N
XLogP1.48
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione?
The IUPAC name of (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione (CID 134837818) is (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione.
What is the SMILES notation for (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione?
The canonical SMILES for (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione is Cc1cc(C)cc(N2C[C@]3(OCC2=O)OC[C@@H]2OC(C)(C)O[C@@H]2C3=O)c1.
What is the InChIKey of (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione?
The InChIKey is RTMIZCXHHVGLJC-URLQWDBASA-N. The full InChI is InChI=1S/C19H23NO6/c1-11-5-12(2)7-13(6-11)20-10-19(24-9-15(20)21)17(22)16-14(8-23-19)25-18(3,4)26-16/h5-7,14,16H,8-10H2,1-4H3/t14-,16-,19+/m0/s1.
What are the key properties of (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione?
(3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione has a molecular weight of 361.39 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,7aS)-4'-(3,5-dimethylphenyl)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione is sourced from PubChem (CID 134837818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).