(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone

C20H19NO3 — CID 119061394

IUPAC(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCC(Oc4ccccc4)C3)cc2c1
InChIInChI=1S/C20H19NO3/c1-14-7-8-18-15(11-14)12-19(24-18)20(22)21-10-9-17(13-21)23-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13H2,1H3
InChIKeyGTJGBVFXPMEEKE-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.03
Rot. Bonds3

About (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone

(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone (PubChem CID 119061394) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
PubChem CID119061394
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCC(Oc4ccccc4)C3)cc2c1
InChIInChI=1S/C20H19NO3/c1-14-7-8-18-15(11-14)12-19(24-18)20(22)21-10-9-17(13-21)23-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13H2,1H3
InChIKeyGTJGBVFXPMEEKE-UHFFFAOYSA-N
XLogP4.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624023
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
[(3R,4S,5R)-4,5-dihydroxy-3-morpholin-4-ylazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 110164615
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257503
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone (CID 119061394) is (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone is Cc1ccc2oc(C(=O)N3CCC(Oc4ccccc4)C3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
The InChIKey is GTJGBVFXPMEEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-7-8-18-15(11-14)12-19(24-18)20(22)21-10-9-17(13-21)23-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13H2,1H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone?
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 119061394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).