1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid

C10H15NO3 — CID 22610349

IUPAC1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3(2)4(5)6/h2H,1,3-5H2;1H2,2H3,(H,5,6)
InChIKeyBHAYFXKTLWGHHO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.40
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid

1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid (PubChem CID 22610349) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
PubChem CID22610349
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3(2)4(5)6/h2H,1,3-5H2;1H2,2H3,(H,5,6)
InChIKeyBHAYFXKTLWGHHO-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid (CID 22610349) is 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
The InChIKey is BHAYFXKTLWGHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H6O2/c1-2-7-5-3-4-6(7)8;1-3(2)4(5)6/h2H,1,3-5H2;1H2,2H3,(H,5,6).
What are the key properties of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid?
1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid is sourced from PubChem (CID 22610349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).