N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide

C18H22N2O5 — CID 164635737

IUPACN-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCO[C@H]1COC[C@H]1NC(=O)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C18H22N2O5/c1-23-16-10-24-9-13(16)19-17(22)20-7-6-18(11-20)8-14(21)12-4-2-3-5-15(12)25-18/h2-5,13,16H,6-11H2,1H3,(H,19,22)/t13-,16+,18?/m1/s1
InChIKeyMJFJTQBZOKIUKY-YDXVHPOTSA-N
MW346.38 g/mol
LogP1.22
Rot. Bonds2

About N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide

N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164635737) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID164635737
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
SMILESCO[C@H]1COC[C@H]1NC(=O)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C18H22N2O5/c1-23-16-10-24-9-13(16)19-17(22)20-7-6-18(11-20)8-14(21)12-4-2-3-5-15(12)25-18/h2-5,13,16H,6-11H2,1H3,(H,19,22)/t13-,16+,18?/m1/s1
InChIKeyMJFJTQBZOKIUKY-YDXVHPOTSA-N
XLogP1.22
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide (CID 164635737) is N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is CO[C@H]1COC[C@H]1NC(=O)N1CCC2(CC(=O)c3ccccc3O2)C1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is MJFJTQBZOKIUKY-YDXVHPOTSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-23-16-10-24-9-13(16)19-17(22)20-7-6-18(11-20)8-14(21)12-4-2-3-5-15(12)25-18/h2-5,13,16H,6-11H2,1H3,(H,19,22)/t13-,16+,18?/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide?
N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxolan-3-yl]-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164635737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).