1-ethylpyrrolidin-2-one;nitric acid

C6H12N2O4 — CID 69231253

IUPAC1-ethylpyrrolidin-2-one;nitric acid
SMILESCCN1CCCC1=O.O=[N+]([O-])O
InChIInChI=1S/C6H11NO.HNO3/c1-2-7-5-3-4-6(7)8;2-1(3)4/h2-5H2,1H3;(H,2,3,4)
InChIKeyJBQQWWDJXIXLLQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.28
Rot. Bonds1

About 1-ethylpyrrolidin-2-one;nitric acid

1-ethylpyrrolidin-2-one;nitric acid (PubChem CID 69231253) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one;nitric acid.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one;nitric acid
PubChem CID69231253
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-ethylpyrrolidin-2-one;nitric acid
SMILESCCN1CCCC1=O.O=[N+]([O-])O
InChIInChI=1S/C6H11NO.HNO3/c1-2-7-5-3-4-6(7)8;2-1(3)4/h2-5H2,1H3;(H,2,3,4)
InChIKeyJBQQWWDJXIXLLQ-UHFFFAOYSA-N
XLogP0.28
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one;nitric acid?
The IUPAC name of 1-ethylpyrrolidin-2-one;nitric acid (CID 69231253) is 1-ethylpyrrolidin-2-one;nitric acid.
What is the SMILES notation for 1-ethylpyrrolidin-2-one;nitric acid?
The canonical SMILES for 1-ethylpyrrolidin-2-one;nitric acid is CCN1CCCC1=O.O=[N+]([O-])O.
What is the InChIKey of 1-ethylpyrrolidin-2-one;nitric acid?
The InChIKey is JBQQWWDJXIXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.HNO3/c1-2-7-5-3-4-6(7)8;2-1(3)4/h2-5H2,1H3;(H,2,3,4).
What are the key properties of 1-ethylpyrrolidin-2-one;nitric acid?
1-ethylpyrrolidin-2-one;nitric acid has a molecular weight of 176.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one;nitric acid is sourced from PubChem (CID 69231253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).