(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol

C15H25NO — CID 15939795

IUPAC(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
SMILESCC1=C/C(=C\CC[C@H](C)O)CN2CCCC[C@H]12
InChIInChI=1S/C15H25NO/c1-12-10-14(7-5-6-13(2)17)11-16-9-4-3-8-15(12)16/h7,10,13,15,17H,3-6,8-9,11H2,1-2H3/b14-7+/t13-,15+/m0/s1
InChIKeyAHEJLXVLILVPHL-CTXSEGDPSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds3

About (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol

(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol (PubChem CID 15939795) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol.

Molecular Properties

Compound Name(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
PubChem CID15939795
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol
SMILESCC1=C/C(=C\CC[C@H](C)O)CN2CCCC[C@H]12
InChIInChI=1S/C15H25NO/c1-12-10-14(7-5-6-13(2)17)11-16-9-4-3-8-15(12)16/h7,10,13,15,17H,3-6,8-9,11H2,1-2H3/b14-7+/t13-,15+/m0/s1
InChIKeyAHEJLXVLILVPHL-CTXSEGDPSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol?
The IUPAC name of (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol (CID 15939795) is (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol.
What is the SMILES notation for (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol?
The canonical SMILES for (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol is CC1=C/C(=C\CC[C@H](C)O)CN2CCCC[C@H]12.
What is the InChIKey of (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol?
The InChIKey is AHEJLXVLILVPHL-CTXSEGDPSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-10-14(7-5-6-13(2)17)11-16-9-4-3-8-15(12)16/h7,10,13,15,17H,3-6,8-9,11H2,1-2H3/b14-7+/t13-,15+/m0/s1.
What are the key properties of (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol?
(2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5E)-5-[(9aR)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-ol is sourced from PubChem (CID 15939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).