[4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine

C21H28N2O3 — CID 143216768

IUPAC[4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
SMILESCN1CCCC1.O=C(c1ccc(OCc2ccco2)cc1)N1CCCC1
InChIInChI=1S/C16H17NO3.C5H11N/c18-16(17-9-1-2-10-17)13-5-7-14(8-6-13)20-12-15-4-3-11-19-15;1-6-4-2-3-5-6/h3-8,11H,1-2,9-10,12H2;2-5H2,1H3
InChIKeyTZQSZINRPJIVEV-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.81
Rot. Bonds4

About [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine

[4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine (PubChem CID 143216768) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine.

Molecular Properties

Compound Name[4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
PubChem CID143216768
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
SMILESCN1CCCC1.O=C(c1ccc(OCc2ccco2)cc1)N1CCCC1
InChIInChI=1S/C16H17NO3.C5H11N/c18-16(17-9-1-2-10-17)13-5-7-14(8-6-13)20-12-15-4-3-11-19-15;1-6-4-2-3-5-6/h3-8,11H,1-2,9-10,12H2;2-5H2,1H3
InChIKeyTZQSZINRPJIVEV-UHFFFAOYSA-N
XLogP3.81
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 38911250
azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830515
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine?
The IUPAC name of [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine (CID 143216768) is [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine.
What is the SMILES notation for [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine?
The canonical SMILES for [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine is CN1CCCC1.O=C(c1ccc(OCc2ccco2)cc1)N1CCCC1.
What is the InChIKey of [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine?
The InChIKey is TZQSZINRPJIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3.C5H11N/c18-16(17-9-1-2-10-17)13-5-7-14(8-6-13)20-12-15-4-3-11-19-15;1-6-4-2-3-5-6/h3-8,11H,1-2,9-10,12H2;2-5H2,1H3.
What are the key properties of [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine?
[4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine has a molecular weight of 356.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine is sourced from PubChem (CID 143216768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).