(3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

C20H32N2O6 — CID 169044726

IUPAC(3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESCCC(CC(C)N1C[C@H]2OC(C)(C)O[C@H]2C1=O)N1C[C@H]2OC(C)(C)O[C@H]2C1=O
InChIInChI=1S/C20H32N2O6/c1-7-12(22-10-14-16(18(22)24)28-20(5,6)26-14)8-11(2)21-9-13-15(17(21)23)27-19(3,4)25-13/h11-16H,7-10H2,1-6H3/t11?,12?,13-,14-,15-,16-/m1/s1
InChIKeyFNRADNFTOPVEFF-XJIVYGFWSA-N
MW396.48 g/mol
LogP1.27
Rot. Bonds5

About (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

(3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (PubChem CID 169044726) has the molecular formula C20H32N2O6 and a molecular weight of 396.48 g/mol. Its IUPAC name is (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
PubChem CID169044726
Molecular FormulaC20H32N2O6
Molecular Weight396.48 g/mol
Exact Mass396.23
IUPAC Name(3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESCCC(CC(C)N1C[C@H]2OC(C)(C)O[C@H]2C1=O)N1C[C@H]2OC(C)(C)O[C@H]2C1=O
InChIInChI=1S/C20H32N2O6/c1-7-12(22-10-14-16(18(22)24)28-20(5,6)26-14)8-11(2)21-9-13-15(17(21)23)27-19(3,4)25-13/h11-16H,7-10H2,1-6H3/t11?,12?,13-,14-,15-,16-/m1/s1
InChIKeyFNRADNFTOPVEFF-XJIVYGFWSA-N
XLogP1.27
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one with MolForge

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Related Compounds

zinc;(3aS,6aS)-5-[(2S,4R)-4-[(3aS,6aS)-2,2-diethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-diethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one;bis(butoxy-tert-butyl-dimethylsilane);(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol;(2R)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one;(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carbaldehyde;methyl (2R,3R)-2,3-dihydroxy-3-phenylpropanoate;oxolan-2-ol
CID 165004987
2,2,6,6-tetramethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-one
CID 76653251
(6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 143329157
methyl (2S)-2-[(3aR,7R,7aR)-7-hydroxy-2,2-dimethyl-4-oxo-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-yl]-3-methylbutanoate
CID 101087905
(3aR,8aR)-2,2-dimethyl-4,8a-dihydro-3aH-[1,3]dioxolo[4,5-c]oxepin-8-one
CID 11469474
(3aS,6S,7aS)-6-methoxy-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c](613C)pyran-7-one
CID 171394870
2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 59119757
2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 20627088
(6S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90733947
(2R,6S)-4,4-dimethyl-3,5-dioxa-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),9-diene
CID 10631217
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
CID 62119682
(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 7107167

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The IUPAC name of (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (CID 169044726) is (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The canonical SMILES for (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is CCC(CC(C)N1C[C@H]2OC(C)(C)O[C@H]2C1=O)N1C[C@H]2OC(C)(C)O[C@H]2C1=O.
What is the InChIKey of (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The InChIKey is FNRADNFTOPVEFF-XJIVYGFWSA-N. The full InChI is InChI=1S/C20H32N2O6/c1-7-12(22-10-14-16(18(22)24)28-20(5,6)26-14)8-11(2)21-9-13-15(17(21)23)27-19(3,4)25-13/h11-16H,7-10H2,1-6H3/t11?,12?,13-,14-,15-,16-/m1/s1.
What are the key properties of (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
(3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one has a molecular weight of 396.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[4-[(3aR,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-yl]hexan-2-yl]-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is sourced from PubChem (CID 169044726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).