3-pyrrolidin-1-ylprop-2-enoic acid

C7H11NO2 — CID 57055851

IUPAC3-pyrrolidin-1-ylprop-2-enoic acid
SMILESO=C(O)C=CN1CCCC1
InChIInChI=1S/C7H11NO2/c9-7(10)3-6-8-4-1-2-5-8/h3,6H,1-2,4-5H2,(H,9,10)
InChIKeyDNQXWCKDUGHASL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.68
Rot. Bonds2

About 3-pyrrolidin-1-ylprop-2-enoic acid

3-pyrrolidin-1-ylprop-2-enoic acid (PubChem CID 57055851) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylprop-2-enoic acid
PubChem CID57055851
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-pyrrolidin-1-ylprop-2-enoic acid
SMILESO=C(O)C=CN1CCCC1
InChIInChI=1S/C7H11NO2/c9-7(10)3-6-8-4-1-2-5-8/h3,6H,1-2,4-5H2,(H,9,10)
InChIKeyDNQXWCKDUGHASL-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.68
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 3-pyrrolidin-1-ylprop-2-enoic acid?
The IUPAC name of 3-pyrrolidin-1-ylprop-2-enoic acid (CID 57055851) is 3-pyrrolidin-1-ylprop-2-enoic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylprop-2-enoic acid?
The canonical SMILES for 3-pyrrolidin-1-ylprop-2-enoic acid is O=C(O)C=CN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylprop-2-enoic acid?
The InChIKey is DNQXWCKDUGHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)3-6-8-4-1-2-5-8/h3,6H,1-2,4-5H2,(H,9,10).
What are the key properties of 3-pyrrolidin-1-ylprop-2-enoic acid?
3-pyrrolidin-1-ylprop-2-enoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylprop-2-enoic acid is sourced from PubChem (CID 57055851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).