[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate

C23H21NO5 — CID 8514825

IUPAC[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C23H21NO5/c1-15-9-10-19-17(13-15)18(25)14-20(28-19)23(27)29-21(16-7-3-2-4-8-16)22(26)24-11-5-6-12-24/h2-4,7-10,13-14,21H,5-6,11-12H2,1H3/t21-/m1/s1
InChIKeyBJZKOJHUVISHBC-OAQYLSRUSA-N
MW391.42 g/mol
LogP3.62
Rot. Bonds4

About [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 8514825) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate
PubChem CID8514825
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C23H21NO5/c1-15-9-10-19-17(13-15)18(25)14-20(28-19)23(27)29-21(16-7-3-2-4-8-16)22(26)24-11-5-6-12-24/h2-4,7-10,13-14,21H,5-6,11-12H2,1H3/t21-/m1/s1
InChIKeyBJZKOJHUVISHBC-OAQYLSRUSA-N
XLogP3.62
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384454
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730505
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877271
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dimethylbenzoate
CID 7699703
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 30471955
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-oxochromene-2-carboxylate
CID 25402494
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
[(2R)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8731026
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730127

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate (CID 8514825) is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate is Cc1ccc2oc(C(=O)O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc(=O)c2c1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is BJZKOJHUVISHBC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21NO5/c1-15-9-10-19-17(13-15)18(25)14-20(28-19)23(27)29-21(16-7-3-2-4-8-16)22(26)24-11-5-6-12-24/h2-4,7-10,13-14,21H,5-6,11-12H2,1H3/t21-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate?
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8514825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).