methyl 2-ethenylpyrrolidine-1-carboxylate

C8H13NO2 — CID 13081452

IUPACmethyl 2-ethenylpyrrolidine-1-carboxylate
SMILESC=CC1CCCN1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h3,7H,1,4-6H2,2H3
InChIKeyXLLWNJWYLGZYQN-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.40
Rot. Bonds1

About methyl 2-ethenylpyrrolidine-1-carboxylate

methyl 2-ethenylpyrrolidine-1-carboxylate (PubChem CID 13081452) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-ethenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenylpyrrolidine-1-carboxylate
PubChem CID13081452
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-ethenylpyrrolidine-1-carboxylate
SMILESC=CC1CCCN1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h3,7H,1,4-6H2,2H3
InChIKeyXLLWNJWYLGZYQN-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Vinylpyrrolidine, N-BOC protected
CID 13905156
(2S)-N-tert-butoxycarbonyl-2-vinylpyrrolidine
CID 11084803
tert-Butyl (2R)-2-ethenylpyrrolidine-1-carboxylate
CID 12185972
1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, methyl ester
CID 11062814
tert-butyl (5R)-2-ethenyl-5-methylpyrrolidine-1-carboxylate
CID 90048569
methyl (2R,4S)-4-fluoro-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 169835537
tert-butyl (2S,5R)-2-ethenyl-5-methylpyrrolidine-1-carboxylate
CID 11085097
Ethyl 2-buta-1,3-dien-2-ylpyrrolidine-1-carboxylate
CID 101203262
methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162398002
2-Isopropenylpyrrolidine-1-carboxylic acid, methyl ester
CID 581983
Methyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 14893527
Methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate
CID 20694536

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-ethenylpyrrolidine-1-carboxylate (CID 13081452) is methyl 2-ethenylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-ethenylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-ethenylpyrrolidine-1-carboxylate is C=CC1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-ethenylpyrrolidine-1-carboxylate?
The InChIKey is XLLWNJWYLGZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7-5-4-6-9(7)8(10)11-2/h3,7H,1,4-6H2,2H3.
What are the key properties of methyl 2-ethenylpyrrolidine-1-carboxylate?
methyl 2-ethenylpyrrolidine-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 13081452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).