3-[benzyl(ethyl)amino]pyrrolidin-2-one

C13H18N2O — CID 23073394

IUPAC3-[benzyl(ethyl)amino]pyrrolidin-2-one
SMILESCCN(Cc1ccccc1)C1CCNC1=O
InChIInChI=1S/C13H18N2O/c1-2-15(12-8-9-14-13(12)16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)
InChIKeyGGHCNJFBZHNAFW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds4

About 3-[benzyl(ethyl)amino]pyrrolidin-2-one

3-[benzyl(ethyl)amino]pyrrolidin-2-one (PubChem CID 23073394) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]pyrrolidin-2-one
PubChem CID23073394
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[benzyl(ethyl)amino]pyrrolidin-2-one
SMILESCCN(Cc1ccccc1)C1CCNC1=O
InChIInChI=1S/C13H18N2O/c1-2-15(12-8-9-14-13(12)16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)
InChIKeyGGHCNJFBZHNAFW-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
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BN-201
CID 66610682
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
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(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]pyrrolidin-2-one?
The IUPAC name of 3-[benzyl(ethyl)amino]pyrrolidin-2-one (CID 23073394) is 3-[benzyl(ethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]pyrrolidin-2-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]pyrrolidin-2-one is CCN(Cc1ccccc1)C1CCNC1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]pyrrolidin-2-one?
The InChIKey is GGHCNJFBZHNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15(12-8-9-14-13(12)16)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16).
What are the key properties of 3-[benzyl(ethyl)amino]pyrrolidin-2-one?
3-[benzyl(ethyl)amino]pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 23073394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).