azane;3-ethylpyrrole-2,5-dione

C6H10N2O2 — CID 19898400

IUPACazane;3-ethylpyrrole-2,5-dione
SMILESCCC1=CC(=O)NC1=O.N
InChIInChI=1S/C6H7NO2.H3N/c1-2-4-3-5(8)7-6(4)9;/h3H,2H2,1H3,(H,7,8,9);1H3
InChIKeyCZHNSXBQVALQBR-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.14
Rot. Bonds1

About azane;3-ethylpyrrole-2,5-dione

azane;3-ethylpyrrole-2,5-dione (PubChem CID 19898400) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is azane;3-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Nameazane;3-ethylpyrrole-2,5-dione
PubChem CID19898400
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameazane;3-ethylpyrrole-2,5-dione
SMILESCCC1=CC(=O)NC1=O.N
InChIInChI=1S/C6H7NO2.H3N/c1-2-4-3-5(8)7-6(4)9;/h3H,2H2,1H3,(H,7,8,9);1H3
InChIKeyCZHNSXBQVALQBR-UHFFFAOYSA-N
XLogP0.14
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;3-ethylpyrrole-2,5-dione?
The IUPAC name of azane;3-ethylpyrrole-2,5-dione (CID 19898400) is azane;3-ethylpyrrole-2,5-dione.
What is the SMILES notation for azane;3-ethylpyrrole-2,5-dione?
The canonical SMILES for azane;3-ethylpyrrole-2,5-dione is CCC1=CC(=O)NC1=O.N.
What is the InChIKey of azane;3-ethylpyrrole-2,5-dione?
The InChIKey is CZHNSXBQVALQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.H3N/c1-2-4-3-5(8)7-6(4)9;/h3H,2H2,1H3,(H,7,8,9);1H3.
What are the key properties of azane;3-ethylpyrrole-2,5-dione?
azane;3-ethylpyrrole-2,5-dione has a molecular weight of 142.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethylpyrrole-2,5-dione is sourced from PubChem (CID 19898400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).