ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate

C14H17NO4 — CID 58455620

IUPACethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
SMILESCCCCc1cc(=O)oc2c1C(C(=O)OCC)=NC2
InChIInChI=1S/C14H17NO4/c1-3-5-6-9-7-11(16)19-10-8-15-13(12(9)10)14(17)18-4-2/h7H,3-6,8H2,1-2H3
InChIKeyYFGXHCDWHXEKDR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.85
Rot. Bonds5

About ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate

ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate (PubChem CID 58455620) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
PubChem CID58455620
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
SMILESCCCCc1cc(=O)oc2c1C(C(=O)OCC)=NC2
InChIInChI=1S/C14H17NO4/c1-3-5-6-9-7-11(16)19-10-8-15-13(12(9)10)14(17)18-4-2/h7H,3-6,8H2,1-2H3
InChIKeyYFGXHCDWHXEKDR-UHFFFAOYSA-N
XLogP1.85
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one
CID 58455619
ethyl 2,5-dibutylbenzoate
CID 166059942
ethyl 3,4-dibutylbenzoate
CID 166060053
ethyl 6-oxo-3-propylpyran-2-carboxylate
CID 164685051
4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187734
4-butyl-3-ethoxy-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one;4-butyl-5-ethoxy-7H-pyrano[2,3-c]pyrrol-2-one;4-butyl-5-(methoxymethyl)-7H-pyrano[2,3-c]pyrrol-2-one;ethyl 4-ethyl-6-oxo-1-phenylpyrano[3,2-d]pyrazole-3-carboxylate;4-ethyl-5-methyl-7H-pyrano[2,3-c]pyrrol-2-one
CID 123314638
4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one
CID 58187701
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
diethyl 6-(4-butylphenyl)azulene-1,3-dicarboxylate
CID 11036889
ethyl 2-butyl-4-tri(propan-2-yl)silyloxybenzoate
CID 91579948
ethyl 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylate
CID 46197385
diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
CID 141345102

Frequently Asked Questions

What is the IUPAC name of ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate (CID 58455620) is ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate is CCCCc1cc(=O)oc2c1C(C(=O)OCC)=NC2.
What is the InChIKey of ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate?
The InChIKey is YFGXHCDWHXEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-5-6-9-7-11(16)19-10-8-15-13(12(9)10)14(17)18-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate?
ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate is sourced from PubChem (CID 58455620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).