carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate

C17H15NO5 — CID 161442587

IUPACcarbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate
SMILESCCc1cc2occc2n1COC(=O)c1ccccc1.O=C=O
InChIInChI=1S/C16H15NO3.CO2/c1-2-13-10-15-14(8-9-19-15)17(13)11-20-16(18)12-6-4-3-5-7-12;2-1-3/h3-10H,2,11H2,1H3;
InChIKeyVZLYTZPOOGYDIS-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.03
Rot. Bonds4

About carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate

carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate (PubChem CID 161442587) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate.

Molecular Properties

Compound Namecarbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate
PubChem CID161442587
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namecarbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate
SMILESCCc1cc2occc2n1COC(=O)c1ccccc1.O=C=O
InChIInChI=1S/C16H15NO3.CO2/c1-2-13-10-15-14(8-9-19-15)17(13)11-20-16(18)12-6-4-3-5-7-12;2-1-3/h3-10H,2,11H2,1H3;
InChIKeyVZLYTZPOOGYDIS-UHFFFAOYSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl acetate
CID 58134161
ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924461
[2-acetyl-5-(hydroxymethyl)imidazol-1-yl]methyl benzoate
CID 71105168
CID 158970570
CID 158970570
[2-(benzoyloxymethyl)furan-3-yl]methyl benzoate
CID 70973154
(111C)butyl benzoate
CID 11994383
benzoyloxymethyl(triethyl)azanium
CID 12602694
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
CID 58134110
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
chloroethane;ethyl benzoate
CID 91175503

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate?
The IUPAC name of carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate (CID 161442587) is carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate.
What is the SMILES notation for carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate?
The canonical SMILES for carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate is CCc1cc2occc2n1COC(=O)c1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate?
The InChIKey is VZLYTZPOOGYDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3.CO2/c1-2-13-10-15-14(8-9-19-15)17(13)11-20-16(18)12-6-4-3-5-7-12;2-1-3/h3-10H,2,11H2,1H3;.
What are the key properties of carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate?
carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate has a molecular weight of 313.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(5-ethylfuro[3,2-b]pyrrol-4-yl)methyl benzoate is sourced from PubChem (CID 161442587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).