3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid

C10H14NO3+ — CID 67686338

IUPAC3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid
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/p+1
InChIKeyNRNGSRXRPMFPDL-UHFFFAOYSA-O
MW196.23 g/mol
LogP1.26
Rot. Bonds3

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

3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid (PubChem CID 67686338) has the molecular formula C10H14NO3+ and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid
PubChem CID67686338
Molecular FormulaC10H14NO3+
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid
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/p+1
InChIKeyNRNGSRXRPMFPDL-UHFFFAOYSA-O
XLogP1.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-enoic acid?
The IUPAC name of 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid (CID 67686338) is 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid 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-enoic acid?
The InChIKey is NRNGSRXRPMFPDL-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid?
3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid has a molecular weight of 196.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenyl-2-oxopyrrolidin-1-ium-1-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 67686338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).