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

C13H16N4O2 — CID 168657235

IUPAC4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2ccccc2O)C1
InChIInChI=1S/C13H16N4O2/c14-16-15-8-10-7-13(19)17(9-10)6-5-11-3-1-2-4-12(11)18/h1-4,10,18H,5-9H2
InChIKeyLEZUQRZDFPHCAE-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.09
Rot. Bonds5

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

4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168657235) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID168657235
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2ccccc2O)C1
InChIInChI=1S/C13H16N4O2/c14-16-15-8-10-7-13(19)17(9-10)6-5-11-3-1-2-4-12(11)18/h1-4,10,18H,5-9H2
InChIKeyLEZUQRZDFPHCAE-UHFFFAOYSA-N
XLogP2.09
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 168657234
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
4-(azidomethyl)-1-[2-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168658155
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one (CID 168657235) is 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CCc2ccccc2O)C1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is LEZUQRZDFPHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-16-15-8-10-7-13(19)17(9-10)6-5-11-3-1-2-4-12(11)18/h1-4,10,18H,5-9H2.
What are the key properties of 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168657235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).