1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

C14H16N2O2 — CID 822790

IUPAC1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O2/c17-13-3-1-9-15(13)11-5-7-12(8-6-11)16-10-2-4-14(16)18/h5-8H,1-4,9-10H2
InChIKeyBOILDXNHBGQJJE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.94
Rot. Bonds2

About 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 822790) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID822790
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H16N2O2/c17-13-3-1-9-15(13)11-5-7-12(8-6-11)16-10-2-4-14(16)18/h5-8H,1-4,9-10H2
InChIKeyBOILDXNHBGQJJE-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
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1-(4-aminophenyl)azepan-2-one
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1-(4-chlorophenyl)piperidin-2-one
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1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 69051347
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
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CID 50987521

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (CID 822790) is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is BOILDXNHBGQJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-3-1-9-15(13)11-5-7-12(8-6-11)16-10-2-4-14(16)18/h5-8H,1-4,9-10H2.
What are the key properties of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 822790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).