1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid

C15H19NO5 — CID 159767255

IUPAC1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESC=CN1CCCC1=O.CC1(C(=O)O)C=CC=C(C(=O)O)C1
InChIInChI=1S/C9H10O4.C6H9NO/c1-9(8(12)13)4-2-3-6(5-9)7(10)11;1-2-7-5-3-4-6(7)8/h2-4H,5H2,1H3,(H,10,11)(H,12,13);2H,1,3-5H2
InChIKeyNFQVFWAUSWWVST-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.80
Rot. Bonds3

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

1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid (PubChem CID 159767255) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
PubChem CID159767255
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESC=CN1CCCC1=O.CC1(C(=O)O)C=CC=C(C(=O)O)C1
InChIInChI=1S/C9H10O4.C6H9NO/c1-9(8(12)13)4-2-3-6(5-9)7(10)11;1-2-7-5-3-4-6(7)8/h2-4H,5H2,1H3,(H,10,11)(H,12,13);2H,1,3-5H2
InChIKeyNFQVFWAUSWWVST-UHFFFAOYSA-N
XLogP1.80
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.80
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;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid (CID 159767255) is 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid is C=CN1CCCC1=O.CC1(C(=O)O)C=CC=C(C(=O)O)C1.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The InChIKey is NFQVFWAUSWWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C6H9NO/c1-9(8(12)13)4-2-3-6(5-9)7(10)11;1-2-7-5-3-4-6(7)8/h2-4H,5H2,1H3,(H,10,11)(H,12,13);2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
1-ethenylpyrrolidin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.80, 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;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid is sourced from PubChem (CID 159767255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).