(2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol

C19H33NO — CID 11185420

IUPAC(2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SMILESCCCCCC/C=C/C(C)=C1/CN2CCCC[C@H]2C[C@@H]1O
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-11-16(2)18-15-20-13-10-9-12-17(20)14-19(18)21/h8,11,17,19,21H,3-7,9-10,12-15H2,1-2H3/b11-8+,18-16-/t17-,19-/m0/s1
InChIKeyKDDYMGUHFDIBIC-DSBJWQEESA-N
MW291.48 g/mol
LogP4.45
Rot. Bonds6

About (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol

(2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol (PubChem CID 11185420) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol.

Molecular Properties

Compound Name(2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol
PubChem CID11185420
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SMILESCCCCCC/C=C/C(C)=C1/CN2CCCC[C@H]2C[C@@H]1O
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-11-16(2)18-15-20-13-10-9-12-17(20)14-19(18)21/h8,11,17,19,21H,3-7,9-10,12-15H2,1-2H3/b11-8+,18-16-/t17-,19-/m0/s1
InChIKeyKDDYMGUHFDIBIC-DSBJWQEESA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol with MolForge

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Related Compounds

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(2R,3E,9aS)-3-(2-methylpropylidene)-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol
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6-deca-1,3-dienyl-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
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(3R,4S,6R,9aR)-6-[(E)-dec-1-enyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 11781787
(4S,6S,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 21774335
(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 100992866
(3S,4R,6R,9aR)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 101997250
4-methyl-6-octa-1,3-dienyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 163111119

Frequently Asked Questions

What is the IUPAC name of (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The IUPAC name of (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol (CID 11185420) is (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol.
What is the SMILES notation for (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The canonical SMILES for (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol is CCCCCC/C=C/C(C)=C1/CN2CCCC[C@H]2C[C@@H]1O.
What is the InChIKey of (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The InChIKey is KDDYMGUHFDIBIC-DSBJWQEESA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-5-6-7-8-11-16(2)18-15-20-13-10-9-12-17(20)14-19(18)21/h8,11,17,19,21H,3-7,9-10,12-15H2,1-2H3/b11-8+,18-16-/t17-,19-/m0/s1.
What are the key properties of (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
(2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol has a molecular weight of 291.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z,9aS)-3-[(E)-dec-3-en-2-ylidene]-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-ol is sourced from PubChem (CID 11185420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).