(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol

C11H19NO — CID 103971426

IUPAC(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCN2CCCCC12
InChIInChI=1S/C11H19NO/c1-9(13)8-10-5-7-12-6-3-2-4-11(10)12/h8-9,11,13H,2-7H2,1H3/b10-8-
InChIKeyIDGQDNOZHKZURD-NTMALXAHSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

About (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol

(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol (PubChem CID 103971426) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol
PubChem CID103971426
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCN2CCCCC12
InChIInChI=1S/C11H19NO/c1-9(13)8-10-5-7-12-6-3-2-4-11(10)12/h8-9,11,13H,2-7H2,1H3/b10-8-
InChIKeyIDGQDNOZHKZURD-NTMALXAHSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)hept-3-en-2-ol
CID 5372435
(Z)-7-[(5R,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]hept-3-en-2-ol
CID 14863810
(3Z)-7-(8-Methyloctahydro-5-indolizinyl)-3-hepten-2-ol
CID 91715955
(4E,7R,8Z)-4,7-Dimethyl-8-((8R,8aS)-8-methylhexahydroindolizin-6(5H)-ylidene)oct-4-en-3-ol
CID 91721015
7-(8-Methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)hept-3-en-2-ol
CID 586765
2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 11084268
1-(1,2,3,5,6,8a-Hexahydroindolizin-8-yl)butan-1-ol
CID 12309416
(1S)-1-[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]butan-1-ol
CID 12309417
2-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]ethanol
CID 24801545
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)ethanol
CID 85393217
(1Z)-1-(1,2-dimethylpiperidin-4-ylidene)propan-2-ol
CID 103971047
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)propan-2-ol
CID 103971088

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol (CID 103971426) is (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol is CC(O)/C=C1/CCN2CCCCC12.
What is the InChIKey of (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol?
The InChIKey is IDGQDNOZHKZURD-NTMALXAHSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)8-10-5-7-12-6-3-2-4-11(10)12/h8-9,11,13H,2-7H2,1H3/b10-8-.
What are the key properties of (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol?
(1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ylidene)propan-2-ol is sourced from PubChem (CID 103971426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).