1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one

C20H20N2O3 — CID 142760205

IUPAC1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(Oc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C20H20N2O3/c23-19-9-3-11-21(19)15-5-1-7-17(13-15)25-18-8-2-6-16(14-18)22-12-4-10-20(22)24/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyQJMQCDIVBGCHCT-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.73
Rot. Bonds4

About 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one

1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one (PubChem CID 142760205) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
PubChem CID142760205
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(Oc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C20H20N2O3/c23-19-9-3-11-21(19)15-5-1-7-17(13-15)25-18-8-2-6-16(14-18)22-12-4-10-20(22)24/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyQJMQCDIVBGCHCT-UHFFFAOYSA-N
XLogP3.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 5331393
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one (CID 142760205) is 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(Oc2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one?
The InChIKey is QJMQCDIVBGCHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19-9-3-11-21(19)15-5-1-7-17(13-15)25-18-8-2-6-16(14-18)22-12-4-10-20(22)24/h1-2,5-8,13-14H,3-4,9-12H2.
What are the key properties of 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one?
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one has a molecular weight of 336.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 142760205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).