ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

C8H13NO2 — CID 124506439

IUPACethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(C)=N1
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyFMTWCIPDRLFSMV-SSDOTTSWSA-N
MW155.20 g/mol
LogP1.17
Rot. Bonds2

About ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 124506439) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID124506439
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(C)=N1
InChIInChI=1S/C8H13NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyFMTWCIPDRLFSMV-SSDOTTSWSA-N
XLogP1.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl N~2~,N~6~-bis(oxomethylidene)-L-lysinate
CID 71440643
Ethyl 2,6-diisocyanatohexanoate
CID 10013919
methyl 2-(3,4-dihydro-2H-pyrrol-5-yl)acetate
CID 54224798
Ethyl isocyanatohexanoate
CID 86762632
(2,2,2-trifluoroacetyl) 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 89704906
(S)-ethyl 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate 2,2,2-trifluoroacetate
CID 131742202
tert-butyl (2S)-3-propyl-2H-azirine-2-carboxylate
CID 12141788
(S)-Methyl 3-propyl-2H-azirine-2-carboxylate
CID 12141789
Methyl (2S)-3-propyl-2H-azirine-2-carboxylate
CID 15249128
ethyl (2S)-3-propyl-2H-azirine-2-carboxylate
CID 102445888
methyl 5-(trifluoromethyl)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 112757505
methyl (2S)-5-(trifluoromethyl)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 124676259

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 124506439) is ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate is CCOC(=O)[C@H]1CCC(C)=N1.
What is the InChIKey of ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is FMTWCIPDRLFSMV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 124506439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).