4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one

C13H18N2O2 — CID 168660240

IUPAC4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2ccccc2O)C1
InChIInChI=1S/C13H18N2O2/c14-8-10-7-13(17)15(9-10)6-5-11-3-1-2-4-12(11)16/h1-4,10,16H,5-9,14H2
InChIKeyNEZSDGWBLXJPCT-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.74
Rot. Bonds4

About 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one

4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168660240) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID168660240
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2ccccc2O)C1
InChIInChI=1S/C13H18N2O2/c14-8-10-7-13(17)15(9-10)6-5-11-3-1-2-4-12(11)16/h1-4,10,16H,5-9,14H2
InChIKeyNEZSDGWBLXJPCT-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168660253
1-[2-(2-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670974
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011
4-(aminomethyl)-1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168660373
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
CID 168659615
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
CID 83645468

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one (CID 168660240) is 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one is NCC1CC(=O)N(CCc2ccccc2O)C1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is NEZSDGWBLXJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-8-10-7-13(17)15(9-10)6-5-11-3-1-2-4-12(11)16/h1-4,10,16H,5-9,14H2.
What are the key properties of 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168660240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).