1-ethylpyrrolidin-2-one;sulfuric acid

C6H13NO5S — CID 174895849

IUPAC1-ethylpyrrolidin-2-one;sulfuric acid
SMILESCCN1CCCC1=O.O=S(=O)(O)O
InChIInChI=1S/C6H11NO.H2O4S/c1-2-7-5-3-4-6(7)8;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4)
InChIKeyAIOHZEPTGMSZSS-UHFFFAOYSA-N
MW211.24 g/mol
LogP-0.02
Rot. Bonds1

About 1-ethylpyrrolidin-2-one;sulfuric acid

1-ethylpyrrolidin-2-one;sulfuric acid (PubChem CID 174895849) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one;sulfuric acid.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one;sulfuric acid
PubChem CID174895849
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name1-ethylpyrrolidin-2-one;sulfuric acid
SMILESCCN1CCCC1=O.O=S(=O)(O)O
InChIInChI=1S/C6H11NO.H2O4S/c1-2-7-5-3-4-6(7)8;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4)
InChIKeyAIOHZEPTGMSZSS-UHFFFAOYSA-N
XLogP-0.02
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-ethylpyrrolidin-2-one;oxolan-2-one
CID 19607213
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
1-methylsulfonylpyrrolidin-2-one;sulfuric acid
CID 175575257
1-(2-hydroxyiminopropyl)pyrrolidin-2-one
CID 72586532
acetic acid;2,3-dihydroxypropyl acetate;1-ethylpyrrolidin-2-one
CID 174817773
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
CID 166715430

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one;sulfuric acid?
The IUPAC name of 1-ethylpyrrolidin-2-one;sulfuric acid (CID 174895849) is 1-ethylpyrrolidin-2-one;sulfuric acid.
What is the SMILES notation for 1-ethylpyrrolidin-2-one;sulfuric acid?
The canonical SMILES for 1-ethylpyrrolidin-2-one;sulfuric acid is CCN1CCCC1=O.O=S(=O)(O)O.
What is the InChIKey of 1-ethylpyrrolidin-2-one;sulfuric acid?
The InChIKey is AIOHZEPTGMSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.H2O4S/c1-2-7-5-3-4-6(7)8;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-ethylpyrrolidin-2-one;sulfuric acid?
1-ethylpyrrolidin-2-one;sulfuric acid has a molecular weight of 211.24 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one;sulfuric acid is sourced from PubChem (CID 174895849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).