1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one

C21H24N2O2 — CID 75427930

IUPAC1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one
SMILESCC(NC1CCc2c(O)cccc21)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-14(22-19-12-11-18-17(19)4-2-5-20(18)24)15-7-9-16(10-8-15)23-13-3-6-21(23)25/h2,4-5,7-10,14,19,22,24H,3,6,11-13H2,1H3
InChIKeyHYPUWYBJRLNLQK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds4

About 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one

1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 75427930) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID75427930
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one
SMILESCC(NC1CCc2c(O)cccc21)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-14(22-19-12-11-18-17(19)4-2-5-20(18)24)15-7-9-16(10-8-15)23-13-3-6-21(23)25/h2,4-5,7-10,14,19,22,24H,3,6,11-13H2,1H3
InChIKeyHYPUWYBJRLNLQK-UHFFFAOYSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one (CID 75427930) is 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one is CC(NC1CCc2c(O)cccc21)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is HYPUWYBJRLNLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(22-19-12-11-18-17(19)4-2-5-20(18)24)15-7-9-16(10-8-15)23-13-3-6-21(23)25/h2,4-5,7-10,14,19,22,24H,3,6,11-13H2,1H3.
What are the key properties of 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 75427930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).