4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one

C11H16N6O — CID 168657179

IUPAC4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCCn2ccnc2)C1
InChIInChI=1S/C11H16N6O/c12-15-14-7-10-6-11(18)17(8-10)4-1-3-16-5-2-13-9-16/h2,5,9-10H,1,3-4,6-8H2
InChIKeyHDPKMDHMHUHTLJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.43
Rot. Bonds6

About 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one

4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one (PubChem CID 168657179) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
PubChem CID168657179
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCCn2ccnc2)C1
InChIInChI=1S/C11H16N6O/c12-15-14-7-10-6-11(18)17(8-10)4-1-3-16-5-2-13-9-16/h2,5,9-10H,1,3-4,6-8H2
InChIKeyHDPKMDHMHUHTLJ-UHFFFAOYSA-N
XLogP1.43
TPSA86.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168656232
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 168656073
4-(azidomethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-2-one
CID 168655926
4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 168657234
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one (CID 168657179) is 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CCCn2ccnc2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one?
The InChIKey is HDPKMDHMHUHTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-15-14-7-10-6-11(18)17(8-10)4-1-3-16-5-2-13-9-16/h2,5,9-10H,1,3-4,6-8H2.
What are the key properties of 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one has a molecular weight of 248.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168657179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).