1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one

C23H29N3O — CID 75451908

IUPAC1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1cccc(N2CCCC2=O)c1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H29N3O/c1-18(20-12-14-25(17-20)16-19-7-3-2-4-8-19)24-21-9-5-10-22(15-21)26-13-6-11-23(26)27/h2-5,7-10,15,18,20,24H,6,11-14,16-17H2,1H3
InChIKeyWANULFVADKJCOY-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.14
Rot. Bonds6

About 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one

1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 75451908) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID75451908
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCC(Nc1cccc(N2CCCC2=O)c1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H29N3O/c1-18(20-12-14-25(17-20)16-19-7-3-2-4-8-19)24-21-9-5-10-22(15-21)26-13-6-11-23(26)27/h2-5,7-10,15,18,20,24H,6,11-14,16-17H2,1H3
InChIKeyWANULFVADKJCOY-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 75451908) is 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one is CC(Nc1cccc(N2CCCC2=O)c1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is WANULFVADKJCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18(20-12-14-25(17-20)16-19-7-3-2-4-8-19)24-21-9-5-10-22(15-21)26-13-6-11-23(26)27/h2-5,7-10,15,18,20,24H,6,11-14,16-17H2,1H3.
What are the key properties of 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 363.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 75451908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).