1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C20H23N3O — CID 154580971

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESc1ccc(N2CC3CCN(Cc4ccc5c(c4)CCO5)C3C2)nc1
InChIInChI=1S/C20H23N3O/c1-2-8-21-20(3-1)23-13-17-6-9-22(18(17)14-23)12-15-4-5-19-16(11-15)7-10-24-19/h1-5,8,11,17-18H,6-7,9-10,12-14H2
InChIKeyFYUFTGLZSIVNDI-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.73
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 154580971) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID154580971
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESc1ccc(N2CC3CCN(Cc4ccc5c(c4)CCO5)C3C2)nc1
InChIInChI=1S/C20H23N3O/c1-2-8-21-20(3-1)23-13-17-6-9-22(18(17)14-23)12-15-4-5-19-16(11-15)7-10-24-19/h1-5,8,11,17-18H,6-7,9-10,12-14H2
InChIKeyFYUFTGLZSIVNDI-UHFFFAOYSA-N
XLogP2.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 154829950
3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56715718
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129007714
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 138988946
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745447
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75428219
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone
CID 17417230
5-(5-bromo-2-pyridinyl)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163354891
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 154580971) is 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is c1ccc(N2CC3CCN(Cc4ccc5c(c4)CCO5)C3C2)nc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is FYUFTGLZSIVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-8-21-20(3-1)23-13-17-6-9-22(18(17)14-23)12-15-4-5-19-16(11-15)7-10-24-19/h1-5,8,11,17-18H,6-7,9-10,12-14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 321.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 154580971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).