ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate

C16H15NO5 — CID 162414351

IUPACethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c2oc3ccccc3c(=O)c2cn1CCO
InChIInChI=1S/C16H15NO5/c1-2-21-16(20)13-15-11(9-17(13)7-8-18)14(19)10-5-3-4-6-12(10)22-15/h3-6,9,18H,2,7-8H2,1H3
InChIKeyHJUNJSYOKDUFMU-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.92
Rot. Bonds4

About ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate

ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate (PubChem CID 162414351) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate
PubChem CID162414351
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Nameethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c2oc3ccccc3c(=O)c2cn1CCO
InChIInChI=1S/C16H15NO5/c1-2-21-16(20)13-15-11(9-17(13)7-8-18)14(19)10-5-3-4-6-12(10)22-15/h3-6,9,18H,2,7-8H2,1H3
InChIKeyHJUNJSYOKDUFMU-UHFFFAOYSA-N
XLogP1.92
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(dimethylamino)benzoate;xanthen-9-one
CID 67481902
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
CID 10777524
ethyl 4-(19,21-dioxo-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaen-20-yl)benzoate
CID 19588037
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
propane;xanthen-9-one
CID 90876458
ethyl 4-(4-methoxyphenyl)-9-oxo-3-phenylxanthene-2-carboxylate
CID 164686101
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate (CID 162414351) is ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate is CCOC(=O)c1c2oc3ccccc3c(=O)c2cn1CCO.
What is the InChIKey of ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate?
The InChIKey is HJUNJSYOKDUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-2-21-16(20)13-15-11(9-17(13)7-8-18)14(19)10-5-3-4-6-12(10)22-15/h3-6,9,18H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate?
ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate is sourced from PubChem (CID 162414351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).