methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate

C11H19NO2 — CID 83847795

IUPACmethyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
SMILESCOC(=O)/C=C1\CC(C)N(C(C)C)C1
InChIInChI=1S/C11H19NO2/c1-8(2)12-7-10(5-9(12)3)6-11(13)14-4/h6,8-9H,5,7H2,1-4H3/b10-6+
InChIKeyVYQPAOMCWPZAPB-UXBLZVDNSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate

methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate (PubChem CID 83847795) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
PubChem CID83847795
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
SMILESCOC(=O)/C=C1\CC(C)N(C(C)C)C1
InChIInChI=1S/C11H19NO2/c1-8(2)12-7-10(5-9(12)3)6-11(13)14-4/h6,8-9H,5,7H2,1-4H3/b10-6+
InChIKeyVYQPAOMCWPZAPB-UXBLZVDNSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
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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Related Compounds

(4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
CID 178087818
methyl (2E)-2-(2-ethyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate
CID 83848865
methyl (2Z)-2-(3-propan-2-ylcyclohexylidene)acetate
CID 107449473
methyl (2E)-2-(2-methylpiperidin-4-ylidene)acetate
CID 177162204
methyl 2-(3-cyanocyclobutylidene)acetate
CID 155321008
tert-butyl 5-(2-methoxy-2-oxoethylidene)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 175435556
1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-one
CID 103970857
methyl 2-(1-acetylpiperidin-4-ylidene)acetate
CID 130490640
methyl 2-[3-(cyanomethyl)cyclobutylidene]acetate
CID 155321153
methyl 2-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ylidene)acetate
CID 171951556
benzyl (2R,4Z)-4-(2-methoxy-2-oxoethylidene)-2-methylpiperidine-1-carboxylate
CID 99906294
tert-butyl (2S)-4-(2-methoxy-2-oxoethylidene)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 59681849

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate (CID 83847795) is methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate is COC(=O)/C=C1\CC(C)N(C(C)C)C1.
What is the InChIKey of methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate?
The InChIKey is VYQPAOMCWPZAPB-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)12-7-10(5-9(12)3)6-11(13)14-4/h6,8-9H,5,7H2,1-4H3/b10-6+.
What are the key properties of methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate?
methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(5-methyl-1-propan-2-ylpyrrolidin-3-ylidene)acetate is sourced from PubChem (CID 83847795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).