(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate

C16H15NO5 — CID 2356198

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H15NO5/c18-12-9-14(22-13-6-2-1-5-11(12)13)16(20)21-10-15(19)17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyQYGIHMNKBYIPGA-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.57
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate (PubChem CID 2356198) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
PubChem CID2356198
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H15NO5/c18-12-9-14(22-13-6-2-1-5-11(12)13)16(20)21-10-15(19)17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8,10H2
InChIKeyQYGIHMNKBYIPGA-UHFFFAOYSA-N
XLogP1.57
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate (CID 2356198) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate is O=C(OCC(=O)N1CCCC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate?
The InChIKey is QYGIHMNKBYIPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-12-9-14(22-13-6-2-1-5-11(12)13)16(20)21-10-15(19)17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8,10H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2356198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).