4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one

C14H15N5O — CID 168657379

IUPAC4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C14H15N5O/c15-18-17-7-11-6-14(20)19(9-11)8-10-1-2-12-3-4-16-13(12)5-10/h1-5,11,16H,6-9H2
InChIKeyWWRRGBIWHRLTOI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.83
Rot. Bonds4

About 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one

4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one (PubChem CID 168657379) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
PubChem CID168657379
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C14H15N5O/c15-18-17-7-11-6-14(20)19(9-11)8-10-1-2-12-3-4-16-13(12)5-10/h1-5,11,16H,6-9H2
InChIKeyWWRRGBIWHRLTOI-UHFFFAOYSA-N
XLogP2.83
TPSA84.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.83
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

1-(1H-indol-5-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671071
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 168657419
4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one
CID 168688717
4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
CID 168657382
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168508451
4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one
CID 168685309
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one (CID 168657379) is 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(Cc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one?
The InChIKey is WWRRGBIWHRLTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-18-17-7-11-6-14(20)19(9-11)8-10-1-2-12-3-4-16-13(12)5-10/h1-5,11,16H,6-9H2.
What are the key properties of 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one has a molecular weight of 269.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).