1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one

C11H11F2N5O — CID 168657581

IUPAC1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2c(N)ccc(F)c2F)C1
InChIInChI=1S/C11H11F2N5O/c12-7-1-2-8(14)11(10(7)13)18-5-6(3-9(18)19)4-16-17-15/h1-2,6H,3-5,14H2
InChIKeyLQUVZRZANWEMDM-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.21
Rot. Bonds3

About 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one

1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one (PubChem CID 168657581) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
PubChem CID168657581
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2c(N)ccc(F)c2F)C1
InChIInChI=1S/C11H11F2N5O/c12-7-1-2-8(14)11(10(7)13)18-5-6(3-9(18)19)4-16-17-15/h1-2,6H,3-5,14H2
InChIKeyLQUVZRZANWEMDM-UHFFFAOYSA-N
XLogP2.21
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663375
1-(6-amino-2,3-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671334
4-(azidomethyl)-1-(2-fluoro-6-methylphenyl)pyrrolidin-2-one
CID 168656942
4-(azidomethyl)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168657480
4-(azidomethyl)-1-(2-bromo-4,6-difluorophenyl)pyrrolidin-2-one
CID 168657559
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-(3,5-dichloro-2-fluorophenyl)pyrrolidin-2-one
CID 168658269
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658023
4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168657546

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one (CID 168657581) is 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2c(N)ccc(F)c2F)C1.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one?
The InChIKey is LQUVZRZANWEMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c12-7-1-2-8(14)11(10(7)13)18-5-6(3-9(18)19)4-16-17-15/h1-2,6H,3-5,14H2.
What are the key properties of 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one?
1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one has a molecular weight of 267.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).