1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione

C8H13N3O2 — CID 123161946

IUPAC1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione
SMILESCN(C)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H13N3O2/c1-10(2)9-5-6-11-7(12)3-4-8(11)13/h3-4,9H,5-6H2,1-2H3
InChIKeyBQHUOBGUMISXAK-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.02
Rot. Bonds4

About 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione

1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione (PubChem CID 123161946) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione
PubChem CID123161946
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione
SMILESCN(C)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H13N3O2/c1-10(2)9-5-6-11-7(12)3-4-8(11)13/h3-4,9H,5-6H2,1-2H3
InChIKeyBQHUOBGUMISXAK-UHFFFAOYSA-N
XLogP-1.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione (CID 123161946) is 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione is CN(C)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione?
The InChIKey is BQHUOBGUMISXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10(2)9-5-6-11-7(12)3-4-8(11)13/h3-4,9H,5-6H2,1-2H3.
What are the key properties of 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione?
1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylhydrazinyl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 123161946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).