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

C12H13NO3 — CID 105422133

IUPACethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1ccoc1
InChIInChI=1S/C12H13NO3/c1-2-16-12(14)11-4-3-6-13(11)8-10-5-7-15-9-10/h3-7,9H,2,8H2,1H3
InChIKeyKWGHGQDVSCKCLT-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate (PubChem CID 105422133) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
PubChem CID105422133
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1Cc1ccoc1
InChIInChI=1S/C12H13NO3/c1-2-16-12(14)11-4-3-6-13(11)8-10-5-7-15-9-10/h3-7,9H,2,8H2,1H3
InChIKeyKWGHGQDVSCKCLT-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate
CID 169049344
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537102
1-(furan-3-ylmethyl)-N-methoxy-N-methylpyrrole-2-carboxamide
CID 102384397
ethyl 1-[(3,4-difluorophenyl)methyl]pyrrole-2-carboxylate
CID 105422073
ethyl 1-[(5-methylfuran-2-yl)methyl]pyrrole-2-carboxylate
CID 105421966
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030
ethyl 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 105422122
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
CID 107044007
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 102604433

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate (CID 105422133) is ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate is CCOC(=O)c1cccn1Cc1ccoc1.
What is the InChIKey of ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
The InChIKey is KWGHGQDVSCKCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-12(14)11-4-3-6-13(11)8-10-5-7-15-9-10/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate?
ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-3-ylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 105422133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).