[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate

C20H17NO4 — CID 35545788

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H17NO4/c22-19-6-3-11-21(19)16-7-9-17(10-8-16)25-20(23)15-12-14-4-1-2-5-18(14)24-13-15/h1-2,4-5,7-10,12H,3,6,11,13H2
InChIKeyILUCFKSDTQRZDI-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.19
Rot. Bonds3

About [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate

[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate (PubChem CID 35545788) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate
PubChem CID35545788
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate
SMILESO=C(Oc1ccc(N2CCCC2=O)cc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H17NO4/c22-19-6-3-11-21(19)16-7-9-17(10-8-16)25-20(23)15-12-14-4-1-2-5-18(14)24-13-15/h1-2,4-5,7-10,12H,3,6,11,13H2
InChIKeyILUCFKSDTQRZDI-UHFFFAOYSA-N
XLogP3.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
[4-(2-oxopyrrolidin-1-yl)phenyl] (E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoate
CID 134025049
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 46611878
[4-(2-oxopyrrolidin-1-yl)phenyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 51112697
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
CID 75405912
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 134047665

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate (CID 35545788) is [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate is O=C(Oc1ccc(N2CCCC2=O)cc1)C1=Cc2ccccc2OC1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate?
The InChIKey is ILUCFKSDTQRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19-6-3-11-21(19)16-7-9-17(10-8-16)25-20(23)15-12-14-4-1-2-5-18(14)24-13-15/h1-2,4-5,7-10,12H,3,6,11,13H2.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 35545788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).