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

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Related Compounds

3-ethyl-4-methyl-1H-pyrrol-2-ol
CID 45092467
ethyl 2-(2,4-dimethyl-1H-pyrrol-3-yl)acetate
CID 54026000
ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 171658230
2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
CID 130005479
diethyl 2-ethyl-1H-pyrrole-3,4-dicarboxylate
CID 121015698
4-ethyl-5-[[3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
CID 67840910
ethyl 4-ethyl-5-iodo-1H-pyrrole-3-carboxylate
CID 132992464
ethyl 4-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 10965427
methyl 2-[(2,3,5,6-tetramethylphenyl)methyl]butanoate
CID 116931289
ethyl 4-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]-1H-pyrrole-2-carboxylate
CID 11002759
3-ethyl-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 20701505
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263

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).