4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C11H13N5O — CID 168657443

IUPAC4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C11H13N5O/c12-15-14-6-9-5-11(17)16(7-9)8-10-3-1-2-4-13-10/h1-4,9H,5-8H2
InChIKeyQRDXDTQPODUOMS-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.74
Rot. Bonds4

About 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 168657443) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID168657443
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C11H13N5O/c12-15-14-6-9-5-11(17)16(7-9)8-10-3-1-2-4-13-10/h1-4,9H,5-8H2
InChIKeyQRDXDTQPODUOMS-UHFFFAOYSA-N
XLogP1.74
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
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-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 13422569
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
4-isocyanato-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 82024603
4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
CID 168657382
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
4-(azidomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 168657419
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 168657234

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 168657443) is 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is QRDXDTQPODUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-15-14-6-9-5-11(17)16(7-9)8-10-3-1-2-4-13-10/h1-4,9H,5-8H2.
What are the key properties of 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 231.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).