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

C24H30N4O4 — CID 102530475

IUPAC1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1cccc(C(N2CCCC2=O)N2CCCC2=O)c1)N1CCCC1=O
InChIInChI=1S/C24H30N4O4/c29-19-8-2-12-25(19)23(26-13-3-9-20(26)30)17-6-1-7-18(16-17)24(27-14-4-10-21(27)31)28-15-5-11-22(28)32/h1,6-7,16,23-24H,2-5,8-15H2
InChIKeyGYLPXWNHTUXASK-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.17
Rot. Bonds6

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

1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 102530475) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID102530475
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1cccc(C(N2CCCC2=O)N2CCCC2=O)c1)N1CCCC1=O
InChIInChI=1S/C24H30N4O4/c29-19-8-2-12-25(19)23(26-13-3-9-20(26)30)17-6-1-7-18(16-17)24(27-14-4-10-21(27)31)28-15-5-11-22(28)32/h1,6-7,16,23-24H,2-5,8-15H2
InChIKeyGYLPXWNHTUXASK-UHFFFAOYSA-N
XLogP2.17
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (CID 102530475) is 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is O=C1CCCN1C(c1cccc(C(N2CCCC2=O)N2CCCC2=O)c1)N1CCCC1=O.
What is the InChIKey of 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is GYLPXWNHTUXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-19-8-2-12-25(19)23(26-13-3-9-20(26)30)17-6-1-7-18(16-17)24(27-14-4-10-21(27)31)28-15-5-11-22(28)32/h1,6-7,16,23-24H,2-5,8-15H2.
What are the key properties of 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 438.53 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 102530475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).