1-(5-hydrazinylpentyl)pyrrole-2,5-dione

C9H15N3O2 — CID 70639132

IUPAC1-(5-hydrazinylpentyl)pyrrole-2,5-dione
SMILESNNCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N3O2/c10-11-6-2-1-3-7-12-8(13)4-5-9(12)14/h4-5,11H,1-3,6-7,10H2
InChIKeyKZEXWBZMHSXKLU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.46
Rot. Bonds6

About 1-(5-hydrazinylpentyl)pyrrole-2,5-dione

1-(5-hydrazinylpentyl)pyrrole-2,5-dione (PubChem CID 70639132) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(5-hydrazinylpentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-hydrazinylpentyl)pyrrole-2,5-dione
PubChem CID70639132
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(5-hydrazinylpentyl)pyrrole-2,5-dione
SMILESNNCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N3O2/c10-11-6-2-1-3-7-12-8(13)4-5-9(12)14/h4-5,11H,1-3,6-7,10H2
InChIKeyKZEXWBZMHSXKLU-UHFFFAOYSA-N
XLogP-0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.46
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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Related Compounds

1-(5-aminopentyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23354886
E-Maleimidocaproic acid hydrazine hydrochloride
CID 44119987
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
CID 4170354
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
1-(6-aminohexyl)-1H-pyrrole-2,5-dione
CID 23054403
N-(4-aminobutyl)maleimide
CID 24802707
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
4-(2,5-Dioxopyrrol-1-yl)butylazanium
CID 57554234
1-[6-(2-Diazohydrazinyl)hexyl]pyrrole-2,5-dione
CID 66739014
1-(3-Hydrazinylpropyl)pyrrole-2,5-dione
CID 66992825
1-[3-(Dimethylamino)propylamino]pyrrole-2,5-dione
CID 68421398
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydrazinylpentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-hydrazinylpentyl)pyrrole-2,5-dione (CID 70639132) is 1-(5-hydrazinylpentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-hydrazinylpentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-hydrazinylpentyl)pyrrole-2,5-dione is NNCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-hydrazinylpentyl)pyrrole-2,5-dione?
The InChIKey is KZEXWBZMHSXKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-11-6-2-1-3-7-12-8(13)4-5-9(12)14/h4-5,11H,1-3,6-7,10H2.
What are the key properties of 1-(5-hydrazinylpentyl)pyrrole-2,5-dione?
1-(5-hydrazinylpentyl)pyrrole-2,5-dione has a molecular weight of 197.24 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydrazinylpentyl)pyrrole-2,5-dione is sourced from PubChem (CID 70639132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).