methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate

C11H13F2NO2 — CID 166095733

IUPACmethyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESC=C1CN2CC(=C(F)F)CC2(C(=O)OC)C1
InChIInChI=1S/C11H13F2NO2/c1-7-3-11(10(15)16-2)4-8(9(12)13)6-14(11)5-7/h1,3-6H2,2H3
InChIKeyRAIUUVHGNBTWMT-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.71
Rot. Bonds1

About methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate

methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate (PubChem CID 166095733) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate
PubChem CID166095733
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate
SMILESC=C1CN2CC(=C(F)F)CC2(C(=O)OC)C1
InChIInChI=1S/C11H13F2NO2/c1-7-3-11(10(15)16-2)4-8(9(12)13)6-14(11)5-7/h1,3-6H2,2H3
InChIKeyRAIUUVHGNBTWMT-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
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 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate?
The IUPAC name of methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate (CID 166095733) is methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate?
The canonical SMILES for methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate is C=C1CN2CC(=C(F)F)CC2(C(=O)OC)C1.
What is the InChIKey of methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate?
The InChIKey is RAIUUVHGNBTWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-3-11(10(15)16-2)4-8(9(12)13)6-14(11)5-7/h1,3-6H2,2H3.
What are the key properties of methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate?
methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethylidene)-6-methylidene-1,3,5,7-tetrahydropyrrolizine-8-carboxylate is sourced from PubChem (CID 166095733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).