methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate

C17H24N2O2 — CID 10613358

IUPACmethyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate
SMILESCCc1c(C)c[nH]c1C(C(=O)OC)c1[nH]cc(C)c1CC
InChIInChI=1S/C17H24N2O2/c1-6-12-10(3)8-18-15(12)14(17(20)21-5)16-13(7-2)11(4)9-19-16/h8-9,14,18-19H,6-7H2,1-5H3
InChIKeyIAURLADTGGIUFJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.39
Rot. Bonds5

About methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate

methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate (PubChem CID 10613358) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate
PubChem CID10613358
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namemethyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate
SMILESCCc1c(C)c[nH]c1C(C(=O)OC)c1[nH]cc(C)c1CC
InChIInChI=1S/C17H24N2O2/c1-6-12-10(3)8-18-15(12)14(17(20)21-5)16-13(7-2)11(4)9-19-16/h8-9,14,18-19H,6-7H2,1-5H3
InChIKeyIAURLADTGGIUFJ-UHFFFAOYSA-N
XLogP3.39
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate 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 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate?
The IUPAC name of methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate (CID 10613358) is methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate.
What is the SMILES notation for methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate?
The canonical SMILES for methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate is CCc1c(C)c[nH]c1C(C(=O)OC)c1[nH]cc(C)c1CC.
What is the InChIKey of methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate?
The InChIKey is IAURLADTGGIUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-12-10(3)8-18-15(12)14(17(20)21-5)16-13(7-2)11(4)9-19-16/h8-9,14,18-19H,6-7H2,1-5H3.
What are the key properties of methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate?
methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate has a molecular weight of 288.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(3-ethyl-4-methyl-1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 10613358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).