methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate

C11H18FNO2 — CID 142350530

IUPACmethyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate
SMILESCOC(=O)/C(C)=C(/C)CN1CCC(F)C1
InChIInChI=1S/C11H18FNO2/c1-8(9(2)11(14)15-3)6-13-5-4-10(12)7-13/h10H,4-7H2,1-3H3/b9-8-
InChIKeyILGDZWGQHKXEOM-HJWRWDBZSA-N
MW215.27 g/mol
LogP1.54
Rot. Bonds3

About methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate

methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate (PubChem CID 142350530) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate
PubChem CID142350530
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Namemethyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate
SMILESCOC(=O)/C(C)=C(/C)CN1CCC(F)C1
InChIInChI=1S/C11H18FNO2/c1-8(9(2)11(14)15-3)6-13-5-4-10(12)7-13/h10H,4-7H2,1-3H3/b9-8-
InChIKeyILGDZWGQHKXEOM-HJWRWDBZSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate (CID 142350530) is methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate is COC(=O)/C(C)=C(/C)CN1CCC(F)C1.
What is the InChIKey of methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate?
The InChIKey is ILGDZWGQHKXEOM-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8(9(2)11(14)15-3)6-13-5-4-10(12)7-13/h10H,4-7H2,1-3H3/b9-8-.
What are the key properties of methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate?
methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate has a molecular weight of 215.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(3-fluoropyrrolidin-1-yl)-2,3-dimethylbut-2-enoate is sourced from PubChem (CID 142350530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).