2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone

C20H23N3O2 — CID 154583769

IUPAC2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
SMILESO=C(COCc1ccccc1)N1CCC2CN(c3ccccn3)CC21
InChIInChI=1S/C20H23N3O2/c24-20(15-25-14-16-6-2-1-3-7-16)23-11-9-17-12-22(13-18(17)23)19-8-4-5-10-21-19/h1-8,10,17-18H,9,11-15H2
InChIKeyYYKVIDMTIUFSFL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds5

About 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone

2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone (PubChem CID 154583769) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
PubChem CID154583769
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
SMILESO=C(COCc1ccccc1)N1CCC2CN(c3ccccn3)CC21
InChIInChI=1S/C20H23N3O2/c24-20(15-25-14-16-6-2-1-3-7-16)23-11-9-17-12-22(13-18(17)23)19-8-4-5-10-21-19/h1-8,10,17-18H,9,11-15H2
InChIKeyYYKVIDMTIUFSFL-UHFFFAOYSA-N
XLogP2.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The IUPAC name of 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone (CID 154583769) is 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The canonical SMILES for 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone is O=C(COCc1ccccc1)N1CCC2CN(c3ccccn3)CC21.
What is the InChIKey of 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The InChIKey is YYKVIDMTIUFSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(15-25-14-16-6-2-1-3-7-16)23-11-9-17-12-22(13-18(17)23)19-8-4-5-10-21-19/h1-8,10,17-18H,9,11-15H2.
What are the key properties of 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone?
2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone is sourced from PubChem (CID 154583769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).