1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione

C13H12ClN5O2 — CID 30834345

IUPAC1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN5O2/c14-10-3-1-2-9(8-10)13-15-17-19(16-13)7-6-18-11(20)4-5-12(18)21/h1-3,8H,4-7H2
InChIKeyQMLFWTKGARNVKH-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.14
Rot. Bonds4

About 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 30834345) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.72 g/mol. Its IUPAC name is 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID30834345
Molecular FormulaC13H12ClN5O2
Molecular Weight305.72 g/mol
Exact Mass305.07
IUPAC Name1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H12ClN5O2/c14-10-3-1-2-9(8-10)13-15-17-19(16-13)7-6-18-11(20)4-5-12(18)21/h1-3,8H,4-7H2
InChIKeyQMLFWTKGARNVKH-UHFFFAOYSA-N
XLogP1.14
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione (CID 30834345) is 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCn1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is QMLFWTKGARNVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c14-10-3-1-2-9(8-10)13-15-17-19(16-13)7-6-18-11(20)4-5-12(18)21/h1-3,8H,4-7H2.
What are the key properties of 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 305.72 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 30834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).