methyl 3-pyrrolidin-3-ylprop-2-enoate

C8H13NO2 — CID 131538183

IUPACmethyl 3-pyrrolidin-3-ylprop-2-enoate
SMILESCOC(=O)C=CC1CCNC1
InChIInChI=1S/C8H13NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h2-3,7,9H,4-6H2,1H3
InChIKeyWDGUDSMAHKUQFI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.33
Rot. Bonds2

About methyl 3-pyrrolidin-3-ylprop-2-enoate

methyl 3-pyrrolidin-3-ylprop-2-enoate (PubChem CID 131538183) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 3-pyrrolidin-3-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-3-ylprop-2-enoate
PubChem CID131538183
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 3-pyrrolidin-3-ylprop-2-enoate
SMILESCOC(=O)C=CC1CCNC1
InChIInChI=1S/C8H13NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h2-3,7,9H,4-6H2,1H3
InChIKeyWDGUDSMAHKUQFI-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-pyrrolidin-3-ylbut-2-enoate
CID 5864142
Ethyl 4-pyrrolidin-3-ylbut-2-enoate
CID 342472
ethyl (2E)-3-(pyrrolidin-2-yl)prop-2-enoate
CID 12155153
ethyl (E)-3-[(2S)-pyrrolidin-2-yl]prop-2-enoate
CID 15482183
Methyl 4-piperidin-4-ylbut-2-enoate
CID 53926868
3-Pyrrolidin-3-ylprop-2-enoic acid
CID 53948377
Ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
methyl (2E)-3-(piperidin-3-yl)prop-2-enoate
CID 66885083
Methyl 3-piperidin-3-ylprop-2-enoate
CID 66885085
methyl (E)-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767701
Methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767704
Prop-2-enyl 3-pyrrolidin-3-ylprop-2-enoate
CID 70598513

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-3-ylprop-2-enoate?
The IUPAC name of methyl 3-pyrrolidin-3-ylprop-2-enoate (CID 131538183) is methyl 3-pyrrolidin-3-ylprop-2-enoate.
What is the SMILES notation for methyl 3-pyrrolidin-3-ylprop-2-enoate?
The canonical SMILES for methyl 3-pyrrolidin-3-ylprop-2-enoate is COC(=O)C=CC1CCNC1.
What is the InChIKey of methyl 3-pyrrolidin-3-ylprop-2-enoate?
The InChIKey is WDGUDSMAHKUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h2-3,7,9H,4-6H2,1H3.
What are the key properties of methyl 3-pyrrolidin-3-ylprop-2-enoate?
methyl 3-pyrrolidin-3-ylprop-2-enoate has a molecular weight of 155.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-3-ylprop-2-enoate is sourced from PubChem (CID 131538183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).