2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole

C12H23NO2 — CID 129290564

IUPAC2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
SMILESCC(C)CC1C2OC(C)(C)OC2CN1C
InChIInChI=1S/C12H23NO2/c1-8(2)6-9-11-10(7-13(9)5)14-12(3,4)15-11/h8-11H,6-7H2,1-5H3
InChIKeyZEDVEAXVVLRFAS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds2

About 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole

2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole (PubChem CID 129290564) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole.

Molecular Properties

Compound Name2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
PubChem CID129290564
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
SMILESCC(C)CC1C2OC(C)(C)OC2CN1C
InChIInChI=1S/C12H23NO2/c1-8(2)6-9-11-10(7-13(9)5)14-12(3,4)15-11/h8-11H,6-7H2,1-5H3
InChIKeyZEDVEAXVVLRFAS-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,4S,6aS)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylic acid
CID 58779058
(3aS,4R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid
CID 174234405
1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol
CID 66841570
[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl-tert-butyl-dimethylsilane
CID 90157720
2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 20627088
tert-butyl (2S)-2-[(3aR,4R,6aS)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-2-cyanoacetate
CID 18336794
[(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
(3aS,4S,6aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 101211706
tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane
CID 11143497
(3aR,4S,6aS)-5-butanoyl-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 11450227
(1S,2S,6R,10R)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-10-ol
CID 10584219
dimethyl (1R,2R,10R,11S)-4,4-dimethyl-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecane-10,11-dicarboxylate
CID 10590396

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
The IUPAC name of 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole (CID 129290564) is 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole.
What is the SMILES notation for 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
The canonical SMILES for 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole is CC(C)CC1C2OC(C)(C)OC2CN1C.
What is the InChIKey of 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
The InChIKey is ZEDVEAXVVLRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)6-9-11-10(7-13(9)5)14-12(3,4)15-11/h8-11H,6-7H2,1-5H3.
What are the key properties of 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole has a molecular weight of 213.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-4-(2-methylpropyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole is sourced from PubChem (CID 129290564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).