methyl 3-but-3-enylpyrrolidine-3-carboxylate

C10H17NO2 — CID 167483923

IUPACmethyl 3-but-3-enylpyrrolidine-3-carboxylate
SMILESC=CCCC1(C(=O)OC)CCNC1
InChIInChI=1S/C10H17NO2/c1-3-4-5-10(9(12)13-2)6-7-11-8-10/h3,11H,1,4-8H2,2H3
InChIKeyUNEAGWDRJCVJDK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds4

About methyl 3-but-3-enylpyrrolidine-3-carboxylate

methyl 3-but-3-enylpyrrolidine-3-carboxylate (PubChem CID 167483923) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 3-but-3-enylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-but-3-enylpyrrolidine-3-carboxylate
PubChem CID167483923
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 3-but-3-enylpyrrolidine-3-carboxylate
SMILESC=CCCC1(C(=O)OC)CCNC1
InChIInChI=1S/C10H17NO2/c1-3-4-5-10(9(12)13-2)6-7-11-8-10/h3,11H,1,4-8H2,2H3
InChIKeyUNEAGWDRJCVJDK-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-but-3-enylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-but-3-enylpyrrolidine-3-carboxylate (CID 167483923) is methyl 3-but-3-enylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-but-3-enylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-but-3-enylpyrrolidine-3-carboxylate is C=CCCC1(C(=O)OC)CCNC1.
What is the InChIKey of methyl 3-but-3-enylpyrrolidine-3-carboxylate?
The InChIKey is UNEAGWDRJCVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-10(9(12)13-2)6-7-11-8-10/h3,11H,1,4-8H2,2H3.
What are the key properties of methyl 3-but-3-enylpyrrolidine-3-carboxylate?
methyl 3-but-3-enylpyrrolidine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-but-3-enylpyrrolidine-3-carboxylate is sourced from PubChem (CID 167483923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).