(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol

C15H25NO — CID 15939796

IUPAC(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
SMILESC[C@H](O)CC[C@@H](C)/C=C1\C=C[C@@H]2CCCN2C1
InChIInChI=1S/C15H25NO/c1-12(5-6-13(2)17)10-14-7-8-15-4-3-9-16(15)11-14/h7-8,10,12-13,15,17H,3-6,9,11H2,1-2H3/b14-10+/t12-,13+,15+/m1/s1
InChIKeyAYXNBUOZKHOIPL-LEORGFTDSA-N
MW235.37 g/mol
LogP2.74
Rot. Bonds4

About (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol

(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol (PubChem CID 15939796) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol.

Molecular Properties

Compound Name(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
PubChem CID15939796
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
SMILESC[C@H](O)CC[C@@H](C)/C=C1\C=C[C@@H]2CCCN2C1
InChIInChI=1S/C15H25NO/c1-12(5-6-13(2)17)10-14-7-8-15-4-3-9-16(15)11-14/h7-8,10,12-13,15,17H,3-6,9,11H2,1-2H3/b14-10+/t12-,13+,15+/m1/s1
InChIKeyAYXNBUOZKHOIPL-LEORGFTDSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol with MolForge

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Related Compounds

(2S,5R,6Z)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol
CID 162955588
(5R,Z)-5-Methyl-6-((S)-1,2,3,8a-tetrahydroindolizin-6(5H)-ylidene)hexan-2-ol
CID 91723904
(9S,9aR)-2-propyl-1,3,4,8,9,9a-hexahydrobenzo[e]isoindol-9-ol
CID 67855911
(9R,9aR)-2-propyl-1,3,4,8,9,9a-hexahydrobenzo[e]isoindol-9-ol
CID 67855976
(Z)-but-2-ene;1-cyclohexyl-3-methylpyrrolidine;ethane;(Z,3Z)-3-ethylidenehept-4-en-1-ol;methane
CID 142965093
(3Z,5Z)-3-[(Z)-but-1-enyl]hepta-3,5-dien-1-ol;1-cyclohexyl-3-methylpyrrolidine;ethane;methane
CID 142965101
(1R)-3-(4-methylcyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
CID 164057527
1-Methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol
CID 167075157
(E)-7-(1-propan-2-ylpyrrolidin-3-yl)hept-6-en-3-ol
CID 172349038
[(1S)-5-ethyl-1,3,8-trimethyl-2,5-dihydro-1H-indolizin-3-yl]methanol
CID 174295842
3-[(5R,8R,8aS)-8-methyl-1,2,3,5,8,8a-hexahydroindolizin-5-yl]propan-1-ol
CID 10584018
6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-ol
CID 73201035

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol?
The IUPAC name of (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol (CID 15939796) is (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol.
What is the SMILES notation for (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol?
The canonical SMILES for (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol is C[C@H](O)CC[C@@H](C)/C=C1\C=C[C@@H]2CCCN2C1.
What is the InChIKey of (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol?
The InChIKey is AYXNBUOZKHOIPL-LEORGFTDSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(5-6-13(2)17)10-14-7-8-15-4-3-9-16(15)11-14/h7-8,10,12-13,15,17H,3-6,9,11H2,1-2H3/b14-10+/t12-,13+,15+/m1/s1.
What are the key properties of (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol?
(2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6E)-6-[(8aS)-2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene]-5-methylhexan-2-ol is sourced from PubChem (CID 15939796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).