7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C18H19NO4 — CID 769357

IUPAC7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCC1
InChIInChI=1S/C18H19NO4/c20-17(19-8-1-2-9-19)11-22-12-6-7-14-13-4-3-5-15(13)18(21)23-16(14)10-12/h6-7,10H,1-5,8-9,11H2
InChIKeyRESJHCJHPFTUTO-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.28
Rot. Bonds3

About 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 769357) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID769357
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCC1
InChIInChI=1S/C18H19NO4/c20-17(19-8-1-2-9-19)11-22-12-6-7-14-13-4-3-5-15(13)18(21)23-16(14)10-12/h6-7,10H,1-5,8-9,11H2
InChIKeyRESJHCJHPFTUTO-UHFFFAOYSA-N
XLogP2.28
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 769357) is 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCC1.
What is the InChIKey of 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is RESJHCJHPFTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(19-8-1-2-9-19)11-22-12-6-7-14-13-4-3-5-15(13)18(21)23-16(14)10-12/h6-7,10H,1-5,8-9,11H2.
What are the key properties of 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 313.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxo-2-pyrrolidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 769357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).