(1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine

C18H23NO — CID 134267792

IUPAC(1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine
SMILESC=C1C=CC(=C/C)/C(=C2/CCCN3CCCC(C)=C23)O1
InChIInChI=1S/C18H23NO/c1-4-15-10-9-14(3)20-18(15)16-8-6-12-19-11-5-7-13(2)17(16)19/h4,9-10H,3,5-8,11-12H2,1-2H3/b15-4-,18-16+
InChIKeyQZOMYZUBCSDCKU-RPWCLIKPSA-N
MW269.39 g/mol
LogP4.45
Rot. Bonds

About (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine

(1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine (PubChem CID 134267792) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine.

Molecular Properties

Compound Name(1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine
PubChem CID134267792
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine
SMILESC=C1C=CC(=C/C)/C(=C2/CCCN3CCCC(C)=C23)O1
InChIInChI=1S/C18H23NO/c1-4-15-10-9-14(3)20-18(15)16-8-6-12-19-11-5-7-13(2)17(16)19/h4,9-10H,3,5-8,11-12H2,1-2H3/b15-4-,18-16+
InChIKeyQZOMYZUBCSDCKU-RPWCLIKPSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine?
The IUPAC name of (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine (CID 134267792) is (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine.
What is the SMILES notation for (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine?
The canonical SMILES for (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine is C=C1C=CC(=C/C)/C(=C2/CCCN3CCCC(C)=C23)O1.
What is the InChIKey of (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine?
The InChIKey is QZOMYZUBCSDCKU-RPWCLIKPSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-10-9-14(3)20-18(15)16-8-6-12-19-11-5-7-13(2)17(16)19/h4,9-10H,3,5-8,11-12H2,1-2H3/b15-4-,18-16+.
What are the key properties of (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine?
(1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine has a molecular weight of 269.39 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(3Z)-3-ethylidene-6-methylidenepyran-2-ylidene]-9-methyl-2,3,4,6,7,8-hexahydroquinolizine is sourced from PubChem (CID 134267792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).