ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate

C10H17NO2 — CID 123872882

IUPACethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate
SMILESCCOC(=O)CC1(C)CCC(C)=N1
InChIInChI=1S/C10H17NO2/c1-4-13-9(12)7-10(3)6-5-8(2)11-10/h4-7H2,1-3H3
InChIKeyWFDOCZLUZFLQGI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate

ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate (PubChem CID 123872882) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate
PubChem CID123872882
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate
SMILESCCOC(=O)CC1(C)CCC(C)=N1
InChIInChI=1S/C10H17NO2/c1-4-13-9(12)7-10(3)6-5-8(2)11-10/h4-7H2,1-3H3
InChIKeyWFDOCZLUZFLQGI-UHFFFAOYSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate?
The IUPAC name of ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate (CID 123872882) is ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate is CCOC(=O)CC1(C)CCC(C)=N1.
What is the InChIKey of ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate?
The InChIKey is WFDOCZLUZFLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-13-9(12)7-10(3)6-5-8(2)11-10/h4-7H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate?
ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate has a molecular weight of 183.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethyl-3,4-dihydropyrrol-2-yl)acetate is sourced from PubChem (CID 123872882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).