1-(3-hydrazinylpropyl)pyrrole-2,5-dione

C7H11N3O2 — CID 66992825

IUPAC1-(3-hydrazinylpropyl)pyrrole-2,5-dione
SMILESNNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H11N3O2/c8-9-4-1-5-10-6(11)2-3-7(10)12/h2-3,9H,1,4-5,8H2
InChIKeyMSKTWVZPGNZMRS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.24
Rot. Bonds4

About 1-(3-hydrazinylpropyl)pyrrole-2,5-dione

1-(3-hydrazinylpropyl)pyrrole-2,5-dione (PubChem CID 66992825) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(3-hydrazinylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-hydrazinylpropyl)pyrrole-2,5-dione
PubChem CID66992825
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(3-hydrazinylpropyl)pyrrole-2,5-dione
SMILESNNCCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H11N3O2/c8-9-4-1-5-10-6(11)2-3-7(10)12/h2-3,9H,1,4-5,8H2
InChIKeyMSKTWVZPGNZMRS-UHFFFAOYSA-N
XLogP-1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.24
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-(3-hydrazinylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-hydrazinylpropyl)pyrrole-2,5-dione (CID 66992825) is 1-(3-hydrazinylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-hydrazinylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-hydrazinylpropyl)pyrrole-2,5-dione is NNCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-hydrazinylpropyl)pyrrole-2,5-dione?
The InChIKey is MSKTWVZPGNZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-9-4-1-5-10-6(11)2-3-7(10)12/h2-3,9H,1,4-5,8H2.
What are the key properties of 1-(3-hydrazinylpropyl)pyrrole-2,5-dione?
1-(3-hydrazinylpropyl)pyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydrazinylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 66992825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).