(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine

C11H20N2O2 — CID 176663573

IUPAC(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine
SMILESCCOC[C@@]12CCCN1C/C(=N\OC)C2
InChIInChI=1S/C11H20N2O2/c1-3-15-9-11-5-4-6-13(11)8-10(7-11)12-14-2/h3-9H2,1-2H3/b12-10-/t11-/m0/s1
InChIKeyVICJQFOWFILKDE-NIANNCQZSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds4

About (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine

(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine (PubChem CID 176663573) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine.

Molecular Properties

Compound Name(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine
PubChem CID176663573
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine
SMILESCCOC[C@@]12CCCN1C/C(=N\OC)C2
InChIInChI=1S/C11H20N2O2/c1-3-15-9-11-5-4-6-13(11)8-10(7-11)12-14-2/h3-9H2,1-2H3/b12-10-/t11-/m0/s1
InChIKeyVICJQFOWFILKDE-NIANNCQZSA-N
XLogP1.26
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(ethoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
CID 170411839
ethane;8-(ethoxymethyl)-2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizine;8-(ethoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176926604
8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
CID 176568096
(2R)-8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
CID 177033202
(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
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
(3S,8S)-8-(ethoxymethyl)-3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169255735
(6E,8R)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170771550
[(3S,8R)-8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanamine
CID 177217439
(6E,8R)-6-(chloromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 177095467
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358

Frequently Asked Questions

What is the IUPAC name of (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine?
The IUPAC name of (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine (CID 176663573) is (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine.
What is the SMILES notation for (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine?
The canonical SMILES for (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine is CCOC[C@@]12CCCN1C/C(=N\OC)C2.
What is the InChIKey of (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine?
The InChIKey is VICJQFOWFILKDE-NIANNCQZSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-15-9-11-5-4-6-13(11)8-10(7-11)12-14-2/h3-9H2,1-2H3/b12-10-/t11-/m0/s1.
What are the key properties of (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine?
(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine has a molecular weight of 212.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine is sourced from PubChem (CID 176663573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).