dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate

C15H17NO5 — CID 758247

IUPACdimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C)n(Cc2ccco2)c1C
InChIInChI=1S/C15H17NO5/c1-9-12(14(17)19-3)13(15(18)20-4)10(2)16(9)8-11-6-5-7-21-11/h5-7H,8H2,1-4H3
InChIKeySZHAVSWLJWZGAW-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.32
Rot. Bonds4

About dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate

dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate (PubChem CID 758247) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
PubChem CID758247
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namedimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C)n(Cc2ccco2)c1C
InChIInChI=1S/C15H17NO5/c1-9-12(14(17)19-3)13(15(18)20-4)10(2)16(9)8-11-6-5-7-21-11/h5-7H,8H2,1-4H3
InChIKeySZHAVSWLJWZGAW-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 705741
[(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732292
(5-methoxycarbonylfuran-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732098
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732161
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732261
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
4-[(furan-2-ylmethylamino)methyl]-1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20957858
ethyl 3-(furan-2-ylmethyl)-2-imino-4-methyl-1,3-thiazole-5-carboxylate
CID 829626
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735
[2-(3,5-dimethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731634
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate (CID 758247) is dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate is COC(=O)c1c(C(=O)OC)c(C)n(Cc2ccco2)c1C.
What is the InChIKey of dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate?
The InChIKey is SZHAVSWLJWZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-12(14(17)19-3)13(15(18)20-4)10(2)16(9)8-11-6-5-7-21-11/h5-7H,8H2,1-4H3.
What are the key properties of dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate?
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 758247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).