methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate

C15H19NO3 — CID 133155163

IUPACmethyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate
SMILESCCC(C)n1c(Cc2ccco2)ccc1C(=O)OC
InChIInChI=1S/C15H19NO3/c1-4-11(2)16-12(10-13-6-5-9-19-13)7-8-14(16)15(17)18-3/h5-9,11H,4,10H2,1-3H3
InChIKeyHGJASCZPGMPPLO-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.43
Rot. Bonds5

About methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate

methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate (PubChem CID 133155163) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate
PubChem CID133155163
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate
SMILESCCC(C)n1c(Cc2ccco2)ccc1C(=O)OC
InChIInChI=1S/C15H19NO3/c1-4-11(2)16-12(10-13-6-5-9-19-13)7-8-14(16)15(17)18-3/h5-9,11H,4,10H2,1-3H3
InChIKeyHGJASCZPGMPPLO-UHFFFAOYSA-N
XLogP3.43
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-butan-2-yl-5-(furan-2-ylmethyl)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

methyl 5-ethyl-1-propan-2-ylpyrrole-2-carboxylate
CID 100792585
5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde
CID 100793801
5-benzyl-1-butan-2-ylpyrrole-2-carboxylic acid
CID 133197557
methyl 5-[(4-methylphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxylate
CID 100793547
methyl 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 2810312
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 758247
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
methyl 5-butyl-1-(2-methylpropyl)pyrrole-2-carboxylate
CID 100793133
methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618976
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392

Frequently Asked Questions

What is the IUPAC name of methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate (CID 133155163) is methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate is CCC(C)n1c(Cc2ccco2)ccc1C(=O)OC.
What is the InChIKey of methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate?
The InChIKey is HGJASCZPGMPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-11(2)16-12(10-13-6-5-9-19-13)7-8-14(16)15(17)18-3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate?
methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-butan-2-yl-5-(furan-2-ylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 133155163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).