[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone

C18H20N2O4 — CID 134697428

IUPAC[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(C(=O)N3CCCC3)o2)o1)N1CCCC1
InChIInChI=1S/C18H20N2O4/c21-17(19-9-1-2-10-19)15-7-5-13(23-15)14-6-8-16(24-14)18(22)20-11-3-4-12-20/h5-8H,1-4,9-12H2
InChIKeyWAJFGAGLLAJAPU-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.01
Rot. Bonds3

About [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134697428) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134697428
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(C(=O)N3CCCC3)o2)o1)N1CCCC1
InChIInChI=1S/C18H20N2O4/c21-17(19-9-1-2-10-19)15-7-5-13(23-15)14-6-8-16(24-14)18(22)20-11-3-4-12-20/h5-8H,1-4,9-12H2
InChIKeyWAJFGAGLLAJAPU-UHFFFAOYSA-N
XLogP3.01
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 72864790
[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone
CID 122557141
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
[5-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 95195380
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778

Frequently Asked Questions

What is the IUPAC name of [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 134697428) is [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2ccc(C(=O)N3CCCC3)o2)o1)N1CCCC1.
What is the InChIKey of [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WAJFGAGLLAJAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(19-9-1-2-10-19)15-7-5-13(23-15)14-6-8-16(24-14)18(22)20-11-3-4-12-20/h5-8H,1-4,9-12H2.
What are the key properties of [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 328.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134697428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).