1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione

C10H15N5O2 — CID 66739014

IUPAC1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione
SMILES[N-]=[N+]=NNCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N5O2/c11-13-14-12-7-3-1-2-4-8-15-9(16)5-6-10(15)17/h5-6,12H,1-4,7-8H2
InChIKeyRWDOLRKSHAHVGZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.29
Rot. Bonds8

About 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione

1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione (PubChem CID 66739014) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione
PubChem CID66739014
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione
SMILES[N-]=[N+]=NNCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N5O2/c11-13-14-12-7-3-1-2-4-8-15-9(16)5-6-10(15)17/h5-6,12H,1-4,7-8H2
InChIKeyRWDOLRKSHAHVGZ-UHFFFAOYSA-N
XLogP1.29
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione (CID 66739014) is 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione is [N-]=[N+]=NNCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione?
The InChIKey is RWDOLRKSHAHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-13-14-12-7-3-1-2-4-8-15-9(16)5-6-10(15)17/h5-6,12H,1-4,7-8H2.
What are the key properties of 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione?
1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione has a molecular weight of 237.26 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-diazohydrazinyl)hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 66739014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).