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

C12H15NO7 — CID 58766090

IUPAC(3'aR,5S)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
SMILESCC(=O)N1C[C@]2(OC[C@H]3OC(C)(C)OC3C2=O)OC1=O
InChIInChI=1S/C12H15NO7/c1-6(14)13-5-12(20-10(13)16)9(15)8-7(4-17-12)18-11(2,3)19-8/h7-8H,4-5H2,1-3H3/t7-,8?,12+/m1/s1
InChIKeyNNVZYMQANZHTAQ-RLWSYNJZSA-N
MW285.25 g/mol
LogP-0.20
Rot. Bonds

About (3'aR,5S)-3-acetyl-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)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione (PubChem CID 58766090) has the molecular formula C12H15NO7 and a molecular weight of 285.25 g/mol. Its IUPAC name is (3'aR,5S)-3-acetyl-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)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
PubChem CID58766090
Molecular FormulaC12H15NO7
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name(3'aR,5S)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
SMILESCC(=O)N1C[C@]2(OC[C@H]3OC(C)(C)OC3C2=O)OC1=O
InChIInChI=1S/C12H15NO7/c1-6(14)13-5-12(20-10(13)16)9(15)8-7(4-17-12)18-11(2,3)19-8/h7-8H,4-5H2,1-3H3/t7-,8?,12+/m1/s1
InChIKeyNNVZYMQANZHTAQ-RLWSYNJZSA-N
XLogP-0.20
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
CID 11056113
(3'aR,5S,7'aR)-2',2'-dimethyl-3-(4-methylsulfonylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 101231522
(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
CID 58766047
(3'aR,5S,7'aR)-3-(3-iodo-4-methylphenyl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 11676942
(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
2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
CID 20617452
(3aR,6S,7aR)-2,2-dimethyl-4'-(4-methylphenyl)spiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,6'-morpholine]-3',7-dione
CID 25177957
CID 162264970
CID 162264970
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 45157469
6-(2-chloroethoxy)-6-(hydroxymethyl)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 22081769
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one
CID 54676508
(5S,8'aR)-N,N,2',2'-tetramethyl-2,8'-dioxospiro[1,3-oxazolidine-5,7'-5,8a-dihydropyrano[4,3-d][1,3]dioxine]-3-carboxamide
CID 142119908

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S)-3-acetyl-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)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione (CID 58766090) is (3'aR,5S)-3-acetyl-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)-3-acetyl-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)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione is CC(=O)N1C[C@]2(OC[C@H]3OC(C)(C)OC3C2=O)OC1=O.
What is the InChIKey of (3'aR,5S)-3-acetyl-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 NNVZYMQANZHTAQ-RLWSYNJZSA-N. The full InChI is InChI=1S/C12H15NO7/c1-6(14)13-5-12(20-10(13)16)9(15)8-7(4-17-12)18-11(2,3)19-8/h7-8H,4-5H2,1-3H3/t7-,8?,12+/m1/s1.
What are the key properties of (3'aR,5S)-3-acetyl-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)-3-acetyl-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 285.25 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S)-3-acetyl-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 58766090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).