(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one

C16H23NO — CID 11514288

IUPAC(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESC=C=C1CCN2[C@@H]1CC(=O)C[C@@H]2C1CCCCC1
InChIInChI=1S/C16H23NO/c1-2-12-8-9-17-15(12)10-14(18)11-16(17)13-6-4-3-5-7-13/h13,15-16H,1,3-11H2/t15-,16-/m1/s1
InChIKeyVXNBYTKBAIWDBN-HZPDHXFCSA-N
MW245.37 g/mol
LogP3.08
Rot. Bonds1

About (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one

(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one (PubChem CID 11514288) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one.

Molecular Properties

Compound Name(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one
PubChem CID11514288
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESC=C=C1CCN2[C@@H]1CC(=O)C[C@@H]2C1CCCCC1
InChIInChI=1S/C16H23NO/c1-2-12-8-9-17-15(12)10-14(18)11-16(17)13-6-4-3-5-7-13/h13,15-16H,1,3-11H2/t15-,16-/m1/s1
InChIKeyVXNBYTKBAIWDBN-HZPDHXFCSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one with MolForge

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Related Compounds

(5S,8aR)-1-ethenylidene-5-hexyl-2,3,5,6,8,8a-hexahydroindolizin-7-one
CID 12191945
(5R,8aS)-2-methylidene-5-propan-2-yl-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 101260106
(5R,8aS)-5-tert-butyl-2-methylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 101260107
(5S,8aS)-2-methylidene-5-nonyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 101260108
(1S,8R)-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-9-one
CID 146161884
(1R,7S,8R)-7-methyl-2-methylidene-4-azatricyclo[5.2.2.04,8]undecan-10-one
CID 11708200
5-cyclohexyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 13957175
(1R,4R,8R,11S)-11-methyl-9-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-one
CID 11665614
(1R,4R,8R,11S)-9,11-dimethyl-12-azatricyclo[6.3.1.04,12]dodec-9-en-6-one
CID 11680044
(3R,5R,8R,8aR)-3-ethenyl-8-methyl-5-(2-methylprop-2-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 56600814
(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one
CID 56600815
2-[1-(2-Methylidenebutyl)piperidin-2-yl]cyclohexan-1-one
CID 79553646

Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one?
The IUPAC name of (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one (CID 11514288) is (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one.
What is the SMILES notation for (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one?
The canonical SMILES for (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one is C=C=C1CCN2[C@@H]1CC(=O)C[C@@H]2C1CCCCC1.
What is the InChIKey of (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one?
The InChIKey is VXNBYTKBAIWDBN-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-12-8-9-17-15(12)10-14(18)11-16(17)13-6-4-3-5-7-13/h13,15-16H,1,3-11H2/t15-,16-/m1/s1.
What are the key properties of (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one?
(5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one has a molecular weight of 245.37 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-5-cyclohexyl-1-ethenylidene-2,3,5,6,8,8a-hexahydroindolizin-7-one is sourced from PubChem (CID 11514288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).