3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate

C10H13NO3 — CID 67686337

IUPAC3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate
SMILESC=C[N+]1(C=C(C)C(=O)[O-])CCCC1=O
InChIInChI=1S/C10H13NO3/c1-3-11(6-4-5-9(11)12)7-8(2)10(13)14/h3,7H,1,4-6H2,2H3
InChIKeyNRNGSRXRPMFPDL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.08
Rot. Bonds3

About 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate

3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate (PubChem CID 67686337) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate
PubChem CID67686337
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate
SMILESC=C[N+]1(C=C(C)C(=O)[O-])CCCC1=O
InChIInChI=1S/C10H13NO3/c1-3-11(6-4-5-9(11)12)7-8(2)10(13)14/h3,7H,1,4-6H2,2H3
InChIKeyNRNGSRXRPMFPDL-UHFFFAOYSA-N
XLogP-0.08
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate?
The IUPAC name of 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate (CID 67686337) is 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate.
What is the SMILES notation for 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate?
The canonical SMILES for 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate is C=C[N+]1(C=C(C)C(=O)[O-])CCCC1=O.
What is the InChIKey of 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate?
The InChIKey is NRNGSRXRPMFPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-11(6-4-5-9(11)12)7-8(2)10(13)14/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate?
3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate has a molecular weight of 195.22 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 67686337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).