2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate

C11H19NO2 — CID 70108201

IUPAC2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate
SMILESC=CCC(C)(C)OC(=O)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-4-7-11(2,3)14-10(13)12-8-5-6-9-12/h4H,1,5-9H2,2-3H3
InChIKeyVOGMVOUSTONOIQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds3

About 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate

2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate (PubChem CID 70108201) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate
PubChem CID70108201
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate
SMILESC=CCC(C)(C)OC(=O)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-4-7-11(2,3)14-10(13)12-8-5-6-9-12/h4H,1,5-9H2,2-3H3
InChIKeyVOGMVOUSTONOIQ-UHFFFAOYSA-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

(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-(2,2-difluoropent-4-enoyl)piperazine-1-carboxylate
CID 10804451
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
(1-cyano-1-hydroxyethyl) piperidine-1-carboxylate
CID 156636524
tert-butyl prop-2-enoate;tert-butyl pyrrolidine-1-carboxylate;methyl 2-hydroxyacetate
CID 162750344
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate (CID 70108201) is 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate is C=CCC(C)(C)OC(=O)N1CCCC1.
What is the InChIKey of 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate?
The InChIKey is VOGMVOUSTONOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-7-11(2,3)14-10(13)12-8-5-6-9-12/h4H,1,5-9H2,2-3H3.
What are the key properties of 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate?
2-methylpent-4-en-2-yl 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 2-methylpent-4-en-2-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 70108201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).