1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid

C15H17NO5 — CID 159023833

IUPAC1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid
SMILESC=CN1CCCC1=O.Cc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H8O4.C6H9NO/c1-5-2-6(8(10)11)4-7(3-5)9(12)13;1-2-7-5-3-4-6(7)8/h2-4H,1H3,(H,10,11)(H,12,13);2H,1,3-5H2
InChIKeyJUAUERBPWIGYKV-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.14
Rot. Bonds3

About 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid

1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid (PubChem CID 159023833) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid
PubChem CID159023833
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid
SMILESC=CN1CCCC1=O.Cc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H8O4.C6H9NO/c1-5-2-6(8(10)11)4-7(3-5)9(12)13;1-2-7-5-3-4-6(7)8/h2-4H,1H3,(H,10,11)(H,12,13);2H,1,3-5H2
InChIKeyJUAUERBPWIGYKV-UHFFFAOYSA-N
XLogP2.14
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid (CID 159023833) is 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid is C=CN1CCCC1=O.Cc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is JUAUERBPWIGYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C6H9NO/c1-5-2-6(8(10)11)4-7(3-5)9(12)13;1-2-7-5-3-4-6(7)8/h2-4H,1H3,(H,10,11)(H,12,13);2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid?
1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 159023833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).