1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C12H16N2O2 — CID 168662678

IUPAC1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CO)CC2=O)cc1N
InChIInChI=1S/C12H16N2O2/c1-8-2-3-10(5-11(8)13)14-6-9(7-15)4-12(14)16/h2-3,5,9,15H,4,6-7,13H2,1H3
InChIKeyISCDUQCYANSQSE-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.92
Rot. Bonds2

About 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662678) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662678
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CO)CC2=O)cc1N
InChIInChI=1S/C12H16N2O2/c1-8-2-3-10(5-11(8)13)14-6-9(7-15)4-12(14)16/h2-3,5,9,15H,4,6-7,13H2,1H3
InChIKeyISCDUQCYANSQSE-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
1-(3-amino-4-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501179
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
1-(4-hydroxy-2,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662808
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662678) is 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one is Cc1ccc(N2CC(CO)CC2=O)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ISCDUQCYANSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-2-3-10(5-11(8)13)14-6-9(7-15)4-12(14)16/h2-3,5,9,15H,4,6-7,13H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).