methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate

C11H20N2O2 — CID 83848928

IUPACmethyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCCC1C2CNCCC2CN1C(=O)OC
InChIInChI=1S/C11H20N2O2/c1-3-10-9-6-12-5-4-8(9)7-13(10)11(14)15-2/h8-10,12H,3-7H2,1-2H3
InChIKeyYTVBERCGIBBLPW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.07
Rot. Bonds1

About methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate

methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate (PubChem CID 83848928) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate
PubChem CID83848928
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate
SMILESCCC1C2CNCCC2CN1C(=O)OC
InChIInChI=1S/C11H20N2O2/c1-3-10-9-6-12-5-4-8(9)7-13(10)11(14)15-2/h8-10,12H,3-7H2,1-2H3
InChIKeyYTVBERCGIBBLPW-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate with MolForge

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Related Compounds

tert-butyl 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridine-2-carboxylate
CID 83851604
cyclopropyl-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66210068
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one
CID 66208703
N-(cyclopropylmethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207970
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylbutan-1-one
CID 66209863
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone
CID 104671600
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 79163563
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 81118727
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxyphenyl)methanone
CID 66210256
2,3-dihydro-1,4-dioxin-5-yl-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66208521
N-(cyanomethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66210091
1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone
CID 131631975

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate (CID 83848928) is methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate is CCC1C2CNCCC2CN1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate?
The InChIKey is YTVBERCGIBBLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-10-9-6-12-5-4-8(9)7-13(10)11(14)15-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate?
methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 83848928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).