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

C20H31FN2O2 — CID 175614528

IUPAC5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CC2(COC)CCCN2C1COCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C20H31FN2O2/c1-16-9-20(14-24-2)6-4-8-23(20)18(16)13-25-15-19-5-3-7-22(19)12-17(10-19)11-21/h11,18H,1,3-10,12-15H2,2H3/b17-11-
InChIKeyWFXSMJPWTRWCQE-BOPFTXTBSA-N
MW350.48 g/mol
LogP2.90
Rot. Bonds6

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

5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 175614528) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID175614528
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Name5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CC2(COC)CCCN2C1COCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C20H31FN2O2/c1-16-9-20(14-24-2)6-4-8-23(20)18(16)13-25-15-19-5-3-7-22(19)12-17(10-19)11-21/h11,18H,1,3-10,12-15H2,2H3/b17-11-
InChIKeyWFXSMJPWTRWCQE-BOPFTXTBSA-N
XLogP2.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-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]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 175614528) is 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-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]-8-(methoxymethyl)-6-methylidene-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]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1CC2(COC)CCCN2C1COCC12CCCN1C/C(=C\F)C2.
What is the InChIKey of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is WFXSMJPWTRWCQE-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H31FN2O2/c1-16-9-20(14-24-2)6-4-8-23(20)18(16)13-25-15-19-5-3-7-22(19)12-17(10-19)11-21/h11,18H,1,3-10,12-15H2,2H3/b17-11-.
What are the key properties of 5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
5-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxymethyl]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 350.48 g/mol, XLogP of 2.90, 6 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]-8-(methoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 175614528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).