methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate

C11H19NO2 — CID 162398002

IUPACmethyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
SMILESCCC/C=C/C1CCCN1C(=O)OC
InChIInChI=1S/C11H19NO2/c1-3-4-5-7-10-8-6-9-12(10)11(13)14-2/h5,7,10H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKeyJJWFTKIIVOXGNQ-FNORWQNLSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds3

About methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate

methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate (PubChem CID 162398002) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
PubChem CID162398002
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
SMILESCCC/C=C/C1CCCN1C(=O)OC
InChIInChI=1S/C11H19NO2/c1-3-4-5-7-10-8-6-9-12(10)11(13)14-2/h5,7,10H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKeyJJWFTKIIVOXGNQ-FNORWQNLSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
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

Ethyl 8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 556818
Methyl 2-ethenylpyrrolidine-1-carboxylate
CID 13081452
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, methyl ester
CID 11062814
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
N-Ethoxycarbonyl-7-azabicyclo(2,2,1)hept-2-ene
CID 534131
tert-butyl (2S)-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 15201200
tert-butyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 10399613
1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
tert-butyl 2-[(E)-oct-1-enyl]pyrrolidine-1-carboxylate
CID 138975109
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569
tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate (CID 162398002) is methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate is CCC/C=C/C1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate?
The InChIKey is JJWFTKIIVOXGNQ-FNORWQNLSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-7-10-8-6-9-12(10)11(13)14-2/h5,7,10H,3-4,6,8-9H2,1-2H3/b7-5+.
What are the key properties of methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate?
methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 162398002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).