methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate

C14H23NO2 — CID 11615623

IUPACmethyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate
SMILESCCCc1c(C(=O)OC)cc(C)n1CC(C)C
InChIInChI=1S/C14H23NO2/c1-6-7-13-12(14(16)17-5)8-11(4)15(13)9-10(2)3/h8,10H,6-7,9H2,1-5H3
InChIKeyHVKJGJFOXBPUIS-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.19
Rot. Bonds5

About methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate

methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate (PubChem CID 11615623) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate
PubChem CID11615623
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namemethyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate
SMILESCCCc1c(C(=O)OC)cc(C)n1CC(C)C
InChIInChI=1S/C14H23NO2/c1-6-7-13-12(14(16)17-5)8-11(4)15(13)9-10(2)3/h8,10H,6-7,9H2,1-5H3
InChIKeyHVKJGJFOXBPUIS-UHFFFAOYSA-N
XLogP3.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate (CID 11615623) is methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate is CCCc1c(C(=O)OC)cc(C)n1CC(C)C.
What is the InChIKey of methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate?
The InChIKey is HVKJGJFOXBPUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-7-13-12(14(16)17-5)8-11(4)15(13)9-10(2)3/h8,10H,6-7,9H2,1-5H3.
What are the key properties of methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate?
methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate is sourced from PubChem (CID 11615623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).