ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate

C18H23NO5 — CID 652843

IUPACethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1
InChIInChI=1S/C18H23NO5/c1-3-22-18(21)15-10-16-14(9-12(2)23-16)19(15)11-17(20)24-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyGYHMYUCAYCSVOY-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.60
Rot. Bonds5

About ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate

ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 652843) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID652843
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nameethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1
InChIInChI=1S/C18H23NO5/c1-3-22-18(21)15-10-16-14(9-12(2)23-16)19(15)11-17(20)24-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3
InChIKeyGYHMYUCAYCSVOY-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 652843) is ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1.
What is the InChIKey of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GYHMYUCAYCSVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-3-22-18(21)15-10-16-14(9-12(2)23-16)19(15)11-17(20)24-13-7-5-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclohexyloxy-2-oxoethyl)-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).