1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione

C10H10N4O2 — CID 18374258

IUPAC1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione
SMILES[N-]=[N+]=NC1=CCCC(N2C(=O)CCC2=O)=C1
InChIInChI=1S/C10H10N4O2/c11-13-12-7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h2,6H,1,3-5H2
InChIKeyYCQFFVNUMKERPM-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.01
Rot. Bonds2

About 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione

1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione (PubChem CID 18374258) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione
PubChem CID18374258
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione
SMILES[N-]=[N+]=NC1=CCCC(N2C(=O)CCC2=O)=C1
InChIInChI=1S/C10H10N4O2/c11-13-12-7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h2,6H,1,3-5H2
InChIKeyYCQFFVNUMKERPM-UHFFFAOYSA-N
XLogP2.01
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.01
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione (CID 18374258) is 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione is [N-]=[N+]=NC1=CCCC(N2C(=O)CCC2=O)=C1.
What is the InChIKey of 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione?
The InChIKey is YCQFFVNUMKERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-13-12-7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h2,6H,1,3-5H2.
What are the key properties of 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione?
1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione has a molecular weight of 218.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18374258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).