(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide

C22H20N2O5 — CID 39377528

IUPAC(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C22H20N2O5/c23-22(27)18-7-4-10-24(18)20(25)13-28-15-8-9-16-17(14-5-2-1-3-6-14)12-21(26)29-19(16)11-15/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2,(H2,23,27)/t18-/m0/s1
InChIKeyBKKKTQFUMWDWLG-SFHVURJKSA-N
MW392.41 g/mol
LogP2.32
Rot. Bonds5

About (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide (PubChem CID 39377528) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide
PubChem CID39377528
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C22H20N2O5/c23-22(27)18-7-4-10-24(18)20(25)13-28-15-8-9-16-17(14-5-2-1-3-6-14)12-21(26)29-19(16)11-15/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2,(H2,23,27)/t18-/m0/s1
InChIKeyBKKKTQFUMWDWLG-SFHVURJKSA-N
XLogP2.32
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide (CID 39377528) is (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide?
The InChIKey is BKKKTQFUMWDWLG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20N2O5/c23-22(27)18-7-4-10-24(18)20(25)13-28-15-8-9-16-17(14-5-2-1-3-6-14)12-21(26)29-19(16)11-15/h1-3,5-6,8-9,11-12,18H,4,7,10,13H2,(H2,23,27)/t18-/m0/s1.
What are the key properties of (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 39377528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).