methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate

C8H13NO2 — CID 10909797

IUPACmethyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate
SMILESCC[C@@H]1CC=CN1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h4,6-7H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyXPPAMJKIWAJLBG-SSDOTTSWSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds1

About methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate

methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate (PubChem CID 10909797) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate
PubChem CID10909797
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate
SMILESCC[C@@H]1CC=CN1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h4,6-7H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyXPPAMJKIWAJLBG-SSDOTTSWSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate (CID 10909797) is methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate is CC[C@@H]1CC=CN1C(=O)OC.
What is the InChIKey of methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is XPPAMJKIWAJLBG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h4,6-7H,3,5H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate?
methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethyl-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 10909797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).