[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone

C16H17NO3 — CID 53015377

IUPAC[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C16H17NO3/c1-19-13-6-4-12(5-7-13)14-8-9-15(20-14)16(18)17-10-2-3-11-17/h4-9H,2-3,10-11H2,1H3
InChIKeyNSUDBCRYSZYYOX-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.19
Rot. Bonds3

About [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone

[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53015377) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID53015377
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C16H17NO3/c1-19-13-6-4-12(5-7-13)14-8-9-15(20-14)16(18)17-10-2-3-11-17/h4-9H,2-3,10-11H2,1H3
InChIKeyNSUDBCRYSZYYOX-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516
[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 56721031
[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 16949896
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 70706506
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[5-(4-methoxyphenyl)furan-2-yl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 131933568
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
[5-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 95195380

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone (CID 53015377) is [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2ccc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NSUDBCRYSZYYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-13-6-4-12(5-7-13)14-8-9-15(20-14)16(18)17-10-2-3-11-17/h4-9H,2-3,10-11H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53015377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).