1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate

C10H17NO5S — CID 139744958

IUPAC1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate
SMILESC=CC1CCN(C(C)OS(=O)(=O)OCC)C1=O
InChIInChI=1S/C10H17NO5S/c1-4-9-6-7-11(10(9)12)8(3)16-17(13,14)15-5-2/h4,8-9H,1,5-7H2,2-3H3
InChIKeyVKPGQYKIWAOVKP-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.66
Rot. Bonds6

About 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate

1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate (PubChem CID 139744958) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate.

Molecular Properties

Compound Name1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate
PubChem CID139744958
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate
SMILESC=CC1CCN(C(C)OS(=O)(=O)OCC)C1=O
InChIInChI=1S/C10H17NO5S/c1-4-9-6-7-11(10(9)12)8(3)16-17(13,14)15-5-2/h4,8-9H,1,5-7H2,2-3H3
InChIKeyVKPGQYKIWAOVKP-UHFFFAOYSA-N
XLogP0.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)ethyl (E)-3-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-methylprop-2-enoate
CID 139893688
1-chloroethyl ethyl sulfate
CID 129187155
CID 159839688
CID 159839688
2-[2-[1-(3-ethenyl-2-oxopyrrolidin-1-yl)-2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 70559340
2-(dimethylamino)ethyl 2-[(3-ethenyl-2-oxopyrrolidin-1-yl)methyl]prop-2-enoate;dimethyl sulfate
CID 174577966
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
ethyl 3-prop-2-enylhex-5-enyl sulfate
CID 146585817
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
methyl N-[(3R)-2-oxo-1-prop-2-enylpyrrolidin-3-yl]carbamate
CID 78427620
(5R,6R)-3-(2-acetamidoethylsulfanyl)-6-[(1S)-1-ethoxysulfonyloxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 22816688
N,N-dimethylethanamine;ethyl prop-2-enyl sulfate
CID 87856591
1-(3-amino-2-oxopiperidin-1-yl)ethyl formate
CID 174559614

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate?
The IUPAC name of 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate (CID 139744958) is 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate.
What is the SMILES notation for 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate?
The canonical SMILES for 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate is C=CC1CCN(C(C)OS(=O)(=O)OCC)C1=O.
What is the InChIKey of 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate?
The InChIKey is VKPGQYKIWAOVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-4-9-6-7-11(10(9)12)8(3)16-17(13,14)15-5-2/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate?
1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate has a molecular weight of 263.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyl-2-oxopyrrolidin-1-yl)ethyl ethyl sulfate is sourced from PubChem (CID 139744958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).