4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione

C17H13N5O4 — CID 3420439

IUPAC4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione
SMILESCn1nnc(N2C(=O)C(=O)C(C(=O)c3ccco3)C2c2ccccc2)n1
InChIInChI=1S/C17H13N5O4/c1-21-19-17(18-20-21)22-13(10-6-3-2-4-7-10)12(15(24)16(22)25)14(23)11-8-5-9-26-11/h2-9,12-13H,1H3
InChIKeyVVPOTXIOUPHXSR-UHFFFAOYSA-N
MW351.32 g/mol
LogP0.96
Rot. Bonds4

About 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione

4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione (PubChem CID 3420439) has the molecular formula C17H13N5O4 and a molecular weight of 351.32 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione
PubChem CID3420439
Molecular FormulaC17H13N5O4
Molecular Weight351.32 g/mol
Exact Mass351.10
IUPAC Name4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione
SMILESCn1nnc(N2C(=O)C(=O)C(C(=O)c3ccco3)C2c2ccccc2)n1
InChIInChI=1S/C17H13N5O4/c1-21-19-17(18-20-21)22-13(10-6-3-2-4-7-10)12(15(24)16(22)25)14(23)11-8-5-9-26-11/h2-9,12-13H,1H3
InChIKeyVVPOTXIOUPHXSR-UHFFFAOYSA-N
XLogP0.96
TPSA111.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione?
The IUPAC name of 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione (CID 3420439) is 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione?
The canonical SMILES for 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione is Cn1nnc(N2C(=O)C(=O)C(C(=O)c3ccco3)C2c2ccccc2)n1.
What is the InChIKey of 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione?
The InChIKey is VVPOTXIOUPHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4/c1-21-19-17(18-20-21)22-13(10-6-3-2-4-7-10)12(15(24)16(22)25)14(23)11-8-5-9-26-11/h2-9,12-13H,1H3.
What are the key properties of 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione?
4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione has a molecular weight of 351.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 3420439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).