4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one

C15H17N5O — CID 168657252

IUPAC4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C15H17N5O/c16-19-17-9-11-7-15(21)20(10-11)6-5-13-8-12-3-1-2-4-14(12)18-13/h1-4,8,11,18H,5-7,9-10H2
InChIKeyVWWWLSVXHIFOBE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.87
Rot. Bonds5

About 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 168657252) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
PubChem CID168657252
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C15H17N5O/c16-19-17-9-11-7-15(21)20(10-11)6-5-13-8-12-3-1-2-4-14(12)18-13/h1-4,8,11,18H,5-7,9-10H2
InChIKeyVWWWLSVXHIFOBE-UHFFFAOYSA-N
XLogP2.87
TPSA84.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
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-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168660253
4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168700196
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 168657234
methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694187
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
CID 168657382
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one (CID 168657252) is 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is VWWWLSVXHIFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-19-17-9-11-7-15(21)20(10-11)6-5-13-8-12-3-1-2-4-14(12)18-13/h1-4,8,11,18H,5-7,9-10H2.
What are the key properties of 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168657252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).