4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one

C14H20N2O3 — CID 112514915

IUPAC4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
SMILESCOCCOc1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-18-6-7-19-13-4-2-12(3-5-13)16-10-11(9-15)8-14(16)17/h2-5,11H,6-10,15H2,1H3
InChIKeyNDKSPFSOZIUHIV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds6

About 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one

4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one (PubChem CID 112514915) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
PubChem CID112514915
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
SMILESCOCCOc1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-18-6-7-19-13-4-2-12(3-5-13)16-10-11(9-15)8-14(16)17/h2-5,11H,6-10,15H2,1H3
InChIKeyNDKSPFSOZIUHIV-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708506
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
4-butoxy-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918373
S-[[1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668263
S-[[5-oxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168666450
4-(aminomethyl)-1-(3-bromo-5-methoxyphenyl)pyrrolidin-2-one
CID 82860333
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 168660067
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
methyl 4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoate
CID 11724977

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one (CID 112514915) is 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one is COCCOc1ccc(N2CC(CN)CC2=O)cc1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is NDKSPFSOZIUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-6-7-19-13-4-2-12(3-5-13)16-10-11(9-15)8-14(16)17/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 112514915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).