methyl 1-ethenylpyrrolidine-2-carboxylate

C8H13NO2 — CID 144567837

IUPACmethyl 1-ethenylpyrrolidine-2-carboxylate
SMILESC=CN1CCCC1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h3,7H,1,4-6H2,2H3
InChIKeyCKRBMOVLZBHPBO-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds2

About methyl 1-ethenylpyrrolidine-2-carboxylate

methyl 1-ethenylpyrrolidine-2-carboxylate (PubChem CID 144567837) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 1-ethenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethenylpyrrolidine-2-carboxylate
PubChem CID144567837
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 1-ethenylpyrrolidine-2-carboxylate
SMILESC=CN1CCCC1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h3,7H,1,4-6H2,2H3
InChIKeyCKRBMOVLZBHPBO-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
CID 140991518
bis(1-ethenylpiperidin-2-yl)methanone
CID 174822016
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
1-ethenyl-2-prop-1-en-2-ylpyrrolidine
CID 155697098
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
methyl (3S)-2-iodo-1-methyldiazinane-3-carboxylate
CID 142223423
(E)-4-(2-methoxycarbonylpyrrolidin-1-yl)-4-oxobut-2-enoic acid
CID 60953999
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-ethenylpyrrolidine-2-carboxylate (CID 144567837) is methyl 1-ethenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-ethenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-ethenylpyrrolidine-2-carboxylate is C=CN1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-ethenylpyrrolidine-2-carboxylate?
The InChIKey is CKRBMOVLZBHPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-9-6-4-5-7(9)8(10)11-2/h3,7H,1,4-6H2,2H3.
What are the key properties of methyl 1-ethenylpyrrolidine-2-carboxylate?
methyl 1-ethenylpyrrolidine-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 144567837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).