5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C22H35FN2O2 — CID 169181414

IUPAC5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CC2(COCCC)CCCN2C1COCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C22H35FN2O2/c1-3-10-26-17-22-7-5-9-25(22)20(18(2)11-22)15-27-16-21-6-4-8-24(21)14-19(12-21)13-23/h13,20H,2-12,14-17H2,1H3/b19-13-
InChIKeyQMGUQYZOQNCTGG-UYRXBGFRSA-N
MW378.53 g/mol
LogP3.68
Rot. Bonds8

About 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 169181414) has the molecular formula C22H35FN2O2 and a molecular weight of 378.53 g/mol. Its IUPAC name is 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID169181414
Molecular FormulaC22H35FN2O2
Molecular Weight378.53 g/mol
Exact Mass378.27
IUPAC Name5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CC2(COCCC)CCCN2C1COCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C22H35FN2O2/c1-3-10-26-17-22-7-5-9-25(22)20(18(2)11-22)15-27-16-21-6-4-8-24(21)14-19(12-21)13-23/h13,20H,2-12,14-17H2,1H3/b19-13-
InChIKeyQMGUQYZOQNCTGG-UYRXBGFRSA-N
XLogP3.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 169181414) is 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1CC2(COCCC)CCCN2C1COCC12CCCN1C/C(=C\F)C2.
What is the InChIKey of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is QMGUQYZOQNCTGG-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H35FN2O2/c1-3-10-26-17-22-7-5-9-25(22)20(18(2)11-22)15-27-16-21-6-4-8-24(21)14-19(12-21)13-23/h13,20H,2-12,14-17H2,1H3/b19-13-.
What are the key properties of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 378.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-6-methylidene-8-(propoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 169181414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).