methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate

C10H14FNO2 — CID 167494914

IUPACmethyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCN2CC(F)CC12C(=O)OC
InChIInChI=1S/C10H14FNO2/c1-7-3-4-12-6-8(11)5-10(7,12)9(13)14-2/h8H,1,3-6H2,2H3
InChIKeyGRVOKYBZQKKXSW-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.90
Rot. Bonds1

About methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate

methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 167494914) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID167494914
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Namemethyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESC=C1CCN2CC(F)CC12C(=O)OC
InChIInChI=1S/C10H14FNO2/c1-7-3-4-12-6-8(11)5-10(7,12)9(13)14-2/h8H,1,3-6H2,2H3
InChIKeyGRVOKYBZQKKXSW-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.90
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-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 167494914) is methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate is C=C1CCN2CC(F)CC12C(=O)OC.
What is the InChIKey of methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is GRVOKYBZQKKXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7-3-4-12-6-8(11)5-10(7,12)9(13)14-2/h8H,1,3-6H2,2H3.
What are the key properties of methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate?
methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 199.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 167494914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).