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

C23H37FN2O2 — CID 170219901

IUPAC(8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1C[C@]2(COCC)CCCN2C1CC(C)OC[C@@]12CCCN1C/C(=C\F)C2
InChIInChI=1S/C23H37FN2O2/c1-4-27-16-23-8-6-10-26(23)21(18(2)12-23)11-19(3)28-17-22-7-5-9-25(22)15-20(13-22)14-24/h14,19,21H,2,4-13,15-17H2,1,3H3/b20-14-/t19?,21?,22-,23-/m0/s1
InChIKeyBHFJUFCCSRVHBP-CJPMBPMXSA-N
MW392.56 g/mol
LogP4.07
Rot. Bonds8

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

(8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170219901) has the molecular formula C23H37FN2O2 and a molecular weight of 392.56 g/mol. Its IUPAC name is (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170219901
Molecular FormulaC23H37FN2O2
Molecular Weight392.56 g/mol
Exact Mass392.28
IUPAC Name(8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1C[C@]2(COCC)CCCN2C1CC(C)OC[C@@]12CCCN1C/C(=C\F)C2
InChIInChI=1S/C23H37FN2O2/c1-4-27-16-23-8-6-10-26(23)21(18(2)12-23)11-19(3)28-17-22-7-5-9-25(22)15-20(13-22)14-24/h14,19,21H,2,4-13,15-17H2,1,3H3/b20-14-/t19?,21?,22-,23-/m0/s1
InChIKeyBHFJUFCCSRVHBP-CJPMBPMXSA-N
XLogP4.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170219901) is (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1C[C@]2(COCC)CCCN2C1CC(C)OC[C@@]12CCCN1C/C(=C\F)C2.
What is the InChIKey of (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is BHFJUFCCSRVHBP-CJPMBPMXSA-N. The full InChI is InChI=1S/C23H37FN2O2/c1-4-27-16-23-8-6-10-26(23)21(18(2)12-23)11-19(3)28-17-22-7-5-9-25(22)15-20(13-22)14-24/h14,19,21H,2,4-13,15-17H2,1,3H3/b20-14-/t19?,21?,22-,23-/m0/s1.
What are the key properties of (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 392.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(ethoxymethyl)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170219901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).