1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid

C11H17NO4 — CID 70369148

IUPAC1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid
SMILESC=CN1CCCC1=O.CC/C=C(\O)C(=O)O
InChIInChI=1S/C6H9NO.C5H8O3/c1-2-7-5-3-4-6(7)8;1-2-3-4(6)5(7)8/h2H,1,3-5H2;3,6H,2H2,1H3,(H,7,8)/b;4-3-
InChIKeyPMSSBNAJUWPHLY-QGAMPUOQSA-N
MW227.26 g/mol
LogP1.68
Rot. Bonds3

About 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid

1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid (PubChem CID 70369148) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid
PubChem CID70369148
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid
SMILESC=CN1CCCC1=O.CC/C=C(\O)C(=O)O
InChIInChI=1S/C6H9NO.C5H8O3/c1-2-7-5-3-4-6(7)8;1-2-3-4(6)5(7)8/h2H,1,3-5H2;3,6H,2H2,1H3,(H,7,8)/b;4-3-
InChIKeyPMSSBNAJUWPHLY-QGAMPUOQSA-N
XLogP1.68
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;(Z)-2-hydroxypent-2-enoic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid (CID 70369148) is 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid is C=CN1CCCC1=O.CC/C=C(\O)C(=O)O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid?
The InChIKey is PMSSBNAJUWPHLY-QGAMPUOQSA-N. The full InChI is InChI=1S/C6H9NO.C5H8O3/c1-2-7-5-3-4-6(7)8;1-2-3-4(6)5(7)8/h2H,1,3-5H2;3,6H,2H2,1H3,(H,7,8)/b;4-3-.
What are the key properties of 1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid?
1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.68, 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;(Z)-2-hydroxypent-2-enoic acid is sourced from PubChem (CID 70369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).