methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate

C11H11NO3 — CID 169049344

IUPACmethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1Cc1ccoc1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-3-2-5-12(10)7-9-4-6-15-8-9/h2-6,8H,7H2,1H3
InChIKeyPHZGXMKWCVGIIF-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.92
Rot. Bonds3

About methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate

methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate (PubChem CID 169049344) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
PubChem CID169049344
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1Cc1ccoc1
InChIInChI=1S/C11H11NO3/c1-14-11(13)10-3-2-5-12(10)7-9-4-6-15-8-9/h2-6,8H,7H2,1H3
InChIKeyPHZGXMKWCVGIIF-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
CID 105422133
1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide
CID 102384397
methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
CID 83827100
methyl 1-[[2-(bromomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 162744008
methyl 1-(quinolin-4-ylmethyl)pyrrole-2-carboxylate
CID 154695130
methyl 1-(2-pyridin-4-ylethyl)pyrrole-2-carboxylate
CID 154695254
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
methyl 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrole-2-carboxylate
CID 75526657
methyl 5-ethyl-1-(furan-3-ylmethyl)triazole-4-carboxylate
CID 103105931
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
methyl 1-(furan-3-ylmethyl)-4-methylpyrrolidine-3-carboxylate
CID 83082533

Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate (CID 169049344) is methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate is COC(=O)c1cccn1Cc1ccoc1.
What is the InChIKey of methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
The InChIKey is PHZGXMKWCVGIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-11(13)10-3-2-5-12(10)7-9-4-6-15-8-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 169049344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).