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

C13H15FN4O — CID 168657234

IUPAC4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2ccccc2F)C1
InChIInChI=1S/C13H15FN4O/c14-12-4-2-1-3-11(12)5-6-18-9-10(7-13(18)19)8-16-17-15/h1-4,10H,5-9H2
InChIKeyRJMNQKLAFFJUAZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.53
Rot. Bonds5

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

4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 168657234) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID168657234
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2ccccc2F)C1
InChIInChI=1S/C13H15FN4O/c14-12-4-2-1-3-11(12)5-6-18-9-10(7-13(18)19)8-16-17-15/h1-4,10H,5-9H2
InChIKeyRJMNQKLAFFJUAZ-UHFFFAOYSA-N
XLogP2.53
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
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
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-(2-fluoro-6-methylphenyl)pyrrolidin-2-one
CID 168656942
4-(azidomethyl)-1-[2-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168658155
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one (CID 168657234) is 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CCc2ccccc2F)C1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is RJMNQKLAFFJUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-12-4-2-1-3-11(12)5-6-18-9-10(7-13(18)19)8-16-17-15/h1-4,10H,5-9H2.
What are the key properties of 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 262.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168657234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).