4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one

C26H30N2O5 — CID 118284308

About 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one (PubChem CID 118284308) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one
• PubChem CID: 118284308
• Molecular Formula: C26H30N2O5
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.22
• IUPAC Name: 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one
• SMILES: COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1
• InChI: InChI=1S/C26H30N2O5/c1-31-25-16-20(6-9-23(25)32-15-14-27-12-10-21(29)17-27)28-13-11-24(26(28)30)33-22-7-4-19(5-8-22)18-2-3-18/h4-9,11,16,18,21,29H,2-3,10,12-15,17H2,1H3/t21-/m1/s1
• InChIKey: NXNCRZFTWGFCTD-OAQYLSRUSA-N
• XLogP: 3.33
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one?

The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one (CID 118284308) is 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one.

What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one?

The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one is COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1.

What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one?

The InChIKey is NXNCRZFTWGFCTD-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-31-25-16-20(6-9-23(25)32-15-14-27-12-10-21(29)17-27)28-13-11-24(26(28)30)33-22-7-4-19(5-8-22)18-2-3-18/h4-9,11,16,18,21,29H,2-3,10,12-15,17H2,1H3/t21-/m1/s1.

What are the key properties of 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one?

4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one has a molecular weight of 450.54 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).