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

C16H17NO3 — CID 110423788

IUPAC[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C16H17NO3/c1-19-15-6-3-2-5-13(15)16(18)17-9-8-12(11-17)14-7-4-10-20-14/h2-7,10,12H,8-9,11H2,1H3
InChIKeyIXUOQTQTAFHUOV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.92
Rot. Bonds3

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

[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 110423788) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID110423788
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2ccco2)C1
InChIInChI=1S/C16H17NO3/c1-19-15-6-3-2-5-13(15)16(18)17-9-8-12(11-17)14-7-4-10-20-14/h2-7,10,12H,8-9,11H2,1H3
InChIKeyIXUOQTQTAFHUOV-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110424514
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 110423788) is [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2ccco2)C1.
What is the InChIKey of [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is IXUOQTQTAFHUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-6-3-2-5-13(15)16(18)17-9-8-12(11-17)14-7-4-10-20-14/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110423788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).