(1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine

C12H19NO — CID 24973598

IUPAC(1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
SMILESC=C1CN2CCCCC2/C1=C\COC
InChIInChI=1S/C12H19NO/c1-10-9-13-7-4-3-5-12(13)11(10)6-8-14-2/h6,12H,1,3-5,7-9H2,2H3/b11-6-
InChIKeyHCDHIOSMELFOGT-WDZFZDKYSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds2

About (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine

(1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine (PubChem CID 24973598) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name(1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
PubChem CID24973598
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
SMILESC=C1CN2CCCCC2/C1=C\COC
InChIInChI=1S/C12H19NO/c1-10-9-13-7-4-3-5-12(13)11(10)6-8-14-2/h6,12H,1,3-5,7-9H2,2H3/b11-6-
InChIKeyHCDHIOSMELFOGT-WDZFZDKYSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Ethoxyethylidene)-8-methyl-8-azabicyclo[3.2.1]octane
CID 123344165

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
The IUPAC name of (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine (CID 24973598) is (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine.
What is the SMILES notation for (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
The canonical SMILES for (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine is C=C1CN2CCCCC2/C1=C\COC.
What is the InChIKey of (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
The InChIKey is HCDHIOSMELFOGT-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-9-13-7-4-3-5-12(13)11(10)6-8-14-2/h6,12H,1,3-5,7-9H2,2H3/b11-6-.
What are the key properties of (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine?
(1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine has a molecular weight of 193.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2-methoxyethylidene)-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine is sourced from PubChem (CID 24973598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).