prop-2-enoic acid;pyrrolidine

C7H13NO2 — CID 159655910

IUPACprop-2-enoic acid;pyrrolidine
SMILESC1CCNC1.C=CC(=O)O
InChIInChI=1S/C4H9N.C3H4O2/c1-2-4-5-3-1;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5)
InChIKeyMSEBPWFOODTSAV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds1

About prop-2-enoic acid;pyrrolidine

prop-2-enoic acid;pyrrolidine (PubChem CID 159655910) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is prop-2-enoic acid;pyrrolidine.

Molecular Properties

Compound Nameprop-2-enoic acid;pyrrolidine
PubChem CID159655910
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameprop-2-enoic acid;pyrrolidine
SMILESC1CCNC1.C=CC(=O)O
InChIInChI=1S/C4H9N.C3H4O2/c1-2-4-5-3-1;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5)
InChIKeyMSEBPWFOODTSAV-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Prop-2-enoic acid;pyrrolidin-2-one
CID 275339
(Z)-but-2-enedioic acid;pyrrolidine
CID 12196048
(E)-but-2-enedioic acid;pyrrolidine
CID 19079055
But-2-enedioic acid;pyrrolidine
CID 68720680
Diethylamine Acrylic Acid
CID 86762477
N-methylethanamine;prop-2-enoic acid
CID 87363958
prop-2-enoic acid;N-propylpropan-1-amine
CID 87697192
Prop-2-enoate;pyrrolidin-1-ium
CID 168152007
But-2-enoic acid;pyrrolidine
CID 169737333
CID 172769206
CID 172769206
N-methylpropan-1-amine;prop-2-enoic acid
CID 174447429
N-methylbutan-1-amine;prop-2-enoic acid
CID 174988649

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;pyrrolidine?
The IUPAC name of prop-2-enoic acid;pyrrolidine (CID 159655910) is prop-2-enoic acid;pyrrolidine.
What is the SMILES notation for prop-2-enoic acid;pyrrolidine?
The canonical SMILES for prop-2-enoic acid;pyrrolidine is C1CCNC1.C=CC(=O)O.
What is the InChIKey of prop-2-enoic acid;pyrrolidine?
The InChIKey is MSEBPWFOODTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H4O2/c1-2-4-5-3-1;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;pyrrolidine?
prop-2-enoic acid;pyrrolidine has a molecular weight of 143.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;pyrrolidine is sourced from PubChem (CID 159655910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).