furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C16H17NO3 — CID 60716835

IUPACfuran-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C16H17NO3/c1-19-13-6-2-5-12(11-13)14-7-3-9-17(14)16(18)15-8-4-10-20-15/h2,4-6,8,10-11,14H,3,7,9H2,1H3
InChIKeyZPPVDBFBVAGMJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.27
Rot. Bonds3

About furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 60716835) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID60716835
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namefuran-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C16H17NO3/c1-19-13-6-2-5-12(11-13)14-7-3-9-17(14)16(18)15-8-4-10-20-15/h2,4-6,8,10-11,14H,3,7,9H2,1H3
InChIKeyZPPVDBFBVAGMJJ-UHFFFAOYSA-N
XLogP3.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
furan-2-yl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 42765347
5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
CID 99944641
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
furan-2-yl-[(2R,3R,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56885909
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 60716835) is furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc(C2CCCN2C(=O)c2ccco2)c1.
What is the InChIKey of furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZPPVDBFBVAGMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-13-6-2-5-12(11-13)14-7-3-9-17(14)16(18)15-8-4-10-20-15/h2,4-6,8,10-11,14H,3,7,9H2,1H3.
What are the key properties of furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 271.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 60716835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).