4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one

C15H19N5O — CID 168658001

IUPAC4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccccc2N2CCCC2)C1
InChIInChI=1S/C15H19N5O/c16-18-17-10-12-9-15(21)20(11-12)14-6-2-1-5-13(14)19-7-3-4-8-19/h1-2,5-6,12H,3-4,7-11H2
InChIKeyDYNNFJRQTIHDKO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.95
Rot. Bonds4

About 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one (PubChem CID 168658001) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
PubChem CID168658001
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccccc2N2CCCC2)C1
InChIInChI=1S/C15H19N5O/c16-18-17-10-12-9-15(21)20(11-12)14-6-2-1-5-13(14)19-7-3-4-8-19/h1-2,5-6,12H,3-4,7-11H2
InChIKeyDYNNFJRQTIHDKO-UHFFFAOYSA-N
XLogP2.95
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.95
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-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393
4-(azidomethyl)-1-[2-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168658155
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-6-fluorobenzoic acid
CID 168658410
4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
CID 168658012
4-(azidomethyl)-1-[2-(phenoxymethyl)phenyl]pyrrolidin-2-one
CID 168658165
4-(azidomethyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658023
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-hydroxybenzoic acid
CID 168657961

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one (CID 168658001) is 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ccccc2N2CCCC2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is DYNNFJRQTIHDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-18-17-10-12-9-15(21)20(11-12)14-6-2-1-5-13(14)19-7-3-4-8-19/h1-2,5-6,12H,3-4,7-11H2.
What are the key properties of 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168658001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).