(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate

C11H13NO3 — CID 58134161

IUPAC(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate
SMILESCCc1cc2occc2n1COC(C)=O
InChIInChI=1S/C11H13NO3/c1-3-9-6-11-10(4-5-14-11)12(9)7-15-8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyALXQWMHDKRTAKW-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.32
Rot. Bonds3

About (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate

(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate (PubChem CID 58134161) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate.

Molecular Properties

Compound Name(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate
PubChem CID58134161
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate
SMILESCCc1cc2occc2n1COC(C)=O
InChIInChI=1S/C11H13NO3/c1-3-9-6-11-10(4-5-14-11)12(9)7-15-8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyALXQWMHDKRTAKW-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Furo(3,2-b)pyrrole-5-carboxylic acid
CID 7141881
methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
methyl 2-methyl-4-{2-[methyl(phenyl)amino]-2-oxoethyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3243502
Methyl 4-[(4-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 4048817
ethyl 4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanoate
CID 6618872
methyl 4-(3-methylbenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011036
methyl 4-{1-[(2-ethoxyanilino)carbonyl]propyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011169
Methyl 2-methyl-4-(4-methylbenzyl)-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16034094
4-[2-(3-Fluoro-phenyl)-2-oxo-ethyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134147418

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate?
The IUPAC name of (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate (CID 58134161) is (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate.
What is the SMILES notation for (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate?
The canonical SMILES for (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate is CCc1cc2occc2n1COC(C)=O.
What is the InChIKey of (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate?
The InChIKey is ALXQWMHDKRTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-9-6-11-10(4-5-14-11)12(9)7-15-8(2)13/h4-6H,3,7H2,1-2H3.
What are the key properties of (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate?
(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate has a molecular weight of 207.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate is sourced from PubChem (CID 58134161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).