1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride

C10H18ClN3O2 — CID 138691919

IUPAC1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NNCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H17N3O2.ClH/c11-12-7-3-1-2-4-8-13-9(14)5-6-10(13)15;/h5-6,12H,1-4,7-8,11H2;1H
InChIKeyGYESNVAQVOCKAT-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.36
Rot. Bonds7

About 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride

1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride (PubChem CID 138691919) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride
PubChem CID138691919
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride
SMILESCl.NNCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H17N3O2.ClH/c11-12-7-3-1-2-4-8-13-9(14)5-6-10(13)15;/h5-6,12H,1-4,7-8,11H2;1H
InChIKeyGYESNVAQVOCKAT-UHFFFAOYSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.36
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride (CID 138691919) is 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride is Cl.NNCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is GYESNVAQVOCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c11-12-7-3-1-2-4-8-13-9(14)5-6-10(13)15;/h5-6,12H,1-4,7-8,11H2;1H.
What are the key properties of 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride?
1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinylhexyl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 138691919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).