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

C14H14N4O2 — CID 168657382

IUPAC4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2cc3ccccc3o2)C1
InChIInChI=1S/C14H14N4O2/c15-17-16-7-10-5-14(19)18(8-10)9-12-6-11-3-1-2-4-13(11)20-12/h1-4,6,10H,5,7-9H2
InChIKeyQWMMJJFFZXKKTD-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.09
Rot. Bonds4

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

4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one (PubChem CID 168657382) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
PubChem CID168657382
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(Cc2cc3ccccc3o2)C1
InChIInChI=1S/C14H14N4O2/c15-17-16-7-10-5-14(19)18(8-10)9-12-6-11-3-1-2-4-13(11)20-12/h1-4,6,10H,5,7-9H2
InChIKeyQWMMJJFFZXKKTD-UHFFFAOYSA-N
XLogP3.09
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.09
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-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
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
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
CID 168655888
4-(azidomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 168657419
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one (CID 168657382) is 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(Cc2cc3ccccc3o2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is QWMMJJFFZXKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-17-16-7-10-5-14(19)18(8-10)9-12-6-11-3-1-2-4-13(11)20-12/h1-4,6,10H,5,7-9H2.
What are the key properties of 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 270.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).