1-ethenylpyrrolidine;prop-2-enoic acid

C9H15NO2 — CID 68797183

IUPAC1-ethenylpyrrolidine;prop-2-enoic acid
SMILESC=CC(=O)O.C=CN1CCCC1
InChIInChI=1S/C6H11N.C3H4O2/c1-2-7-5-3-4-6-7;1-2-3(4)5/h2H,1,3-6H2;2H,1H2,(H,4,5)
InChIKeySMBBQNUPLOXKJW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.48
Rot. Bonds2

About 1-ethenylpyrrolidine;prop-2-enoic acid

1-ethenylpyrrolidine;prop-2-enoic acid (PubChem CID 68797183) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-ethenylpyrrolidine;prop-2-enoic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidine;prop-2-enoic acid
PubChem CID68797183
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-ethenylpyrrolidine;prop-2-enoic acid
SMILESC=CC(=O)O.C=CN1CCCC1
InChIInChI=1S/C6H11N.C3H4O2/c1-2-7-5-3-4-6-7;1-2-3(4)5/h2H,1,3-6H2;2H,1H2,(H,4,5)
InChIKeySMBBQNUPLOXKJW-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.48
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-ethenylpyrrolidine;prop-2-enoic acid?
The IUPAC name of 1-ethenylpyrrolidine;prop-2-enoic acid (CID 68797183) is 1-ethenylpyrrolidine;prop-2-enoic acid.
What is the SMILES notation for 1-ethenylpyrrolidine;prop-2-enoic acid?
The canonical SMILES for 1-ethenylpyrrolidine;prop-2-enoic acid is C=CC(=O)O.C=CN1CCCC1.
What is the InChIKey of 1-ethenylpyrrolidine;prop-2-enoic acid?
The InChIKey is SMBBQNUPLOXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C3H4O2/c1-2-7-5-3-4-6-7;1-2-3(4)5/h2H,1,3-6H2;2H,1H2,(H,4,5).
What are the key properties of 1-ethenylpyrrolidine;prop-2-enoic acid?
1-ethenylpyrrolidine;prop-2-enoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidine;prop-2-enoic acid is sourced from PubChem (CID 68797183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).