hexylhydrazine;pyrrole-2,5-dione

C10H19N3O2 — CID 161094680

IUPAChexylhydrazine;pyrrole-2,5-dione
SMILESCCCCCCNN.O=C1C=CC(=O)N1
InChIInChI=1S/C6H16N2.C4H3NO2/c1-2-3-4-5-6-8-7;6-3-1-2-4(7)5-3/h8H,2-7H2,1H3;1-2H,(H,5,6,7)
InChIKeyUHQCJUPEDRBSNR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.23
Rot. Bonds5

About hexylhydrazine;pyrrole-2,5-dione

hexylhydrazine;pyrrole-2,5-dione (PubChem CID 161094680) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is hexylhydrazine;pyrrole-2,5-dione.

Molecular Properties

Compound Namehexylhydrazine;pyrrole-2,5-dione
PubChem CID161094680
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Namehexylhydrazine;pyrrole-2,5-dione
SMILESCCCCCCNN.O=C1C=CC(=O)N1
InChIInChI=1S/C6H16N2.C4H3NO2/c1-2-3-4-5-6-8-7;6-3-1-2-4(7)5-3/h8H,2-7H2,1H3;1-2H,(H,5,6,7)
InChIKeyUHQCJUPEDRBSNR-UHFFFAOYSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze hexylhydrazine;pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexylhydrazine;pyrrole-2,5-dione?
The IUPAC name of hexylhydrazine;pyrrole-2,5-dione (CID 161094680) is hexylhydrazine;pyrrole-2,5-dione.
What is the SMILES notation for hexylhydrazine;pyrrole-2,5-dione?
The canonical SMILES for hexylhydrazine;pyrrole-2,5-dione is CCCCCCNN.O=C1C=CC(=O)N1.
What is the InChIKey of hexylhydrazine;pyrrole-2,5-dione?
The InChIKey is UHQCJUPEDRBSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C4H3NO2/c1-2-3-4-5-6-8-7;6-3-1-2-4(7)5-3/h8H,2-7H2,1H3;1-2H,(H,5,6,7).
What are the key properties of hexylhydrazine;pyrrole-2,5-dione?
hexylhydrazine;pyrrole-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexylhydrazine;pyrrole-2,5-dione is sourced from PubChem (CID 161094680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).