dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate

C12H15NO4 — CID 2904929

IUPACdimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CCC2
InChIInChI=1S/C12H15NO4/c1-7-9(11(14)16-2)10(12(15)17-3)8-5-4-6-13(7)8/h4-6H2,1-3H3
InChIKeyVJABPNYCOZJQBE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.32
Rot. Bonds2

About dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate

dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate (PubChem CID 2904929) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
PubChem CID2904929
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namedimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CCC2
InChIInChI=1S/C12H15NO4/c1-7-9(11(14)16-2)10(12(15)17-3)8-5-4-6-13(7)8/h4-6H2,1-3H3
InChIKeyVJABPNYCOZJQBE-UHFFFAOYSA-N
XLogP1.32
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-acetyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 2742170
Dimethyl 5-methyl-1H-pyrrolo(1,2-C)(1,3)thiazole-6,7-dicarboxylate
CID 2821331
5-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473419
dimethyl 2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 317901
dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 337612
Dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate
CID 2821121
dimethyl 5-phenyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 1473406
5-(4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473412
AS-9705
CID 2779822
Tetraethyl 1,1'-ethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
CID 3449169
dimethyl 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 1473408
Tetraethyl 1,1'-hexamethylenebis(2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)
CID 3480061

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate (CID 2904929) is dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate is COC(=O)c1c(C(=O)OC)c2n(c1C)CCC2.
What is the InChIKey of dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
The InChIKey is VJABPNYCOZJQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-9(11(14)16-2)10(12(15)17-3)8-5-4-6-13(7)8/h4-6H2,1-3H3.
What are the key properties of dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate?
dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate is sourced from PubChem (CID 2904929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).