(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H25N — CID 10703541

IUPAC(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC/C=C\[C@@H]1CC[C@@H](C)[C@@H]2CCCN12
InChIInChI=1S/C14H25N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h5,7,12-14H,3-4,6,8-11H2,1-2H3/b7-5-/t12-,13-,14+/m1/s1
InChIKeyCMRWNYARELDNAP-ZJOMEWFRSA-N
MW207.36 g/mol
LogP3.61
Rot. Bonds3

About (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 10703541) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID10703541
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC/C=C\[C@@H]1CC[C@@H](C)[C@@H]2CCCN12
InChIInChI=1S/C14H25N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h5,7,12-14H,3-4,6,8-11H2,1-2H3/b7-5-/t12-,13-,14+/m1/s1
InChIKeyCMRWNYARELDNAP-ZJOMEWFRSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038
(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
CID 101050444
[1-(2-methylcyclohexyl)pyrrolidin-2-yl]methanamine
CID 115311555
10-methyl-2-azatricyclo[5.3.1.02,6]undecane
CID 71430606
7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
CID 162993696
(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 134860293
3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one
CID 91515295
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
1,4-dimethyl-2-pent-1-enylcyclopentane
CID 123748018
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one
CID 15253208
(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339

Frequently Asked Questions

What is the IUPAC name of (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 10703541) is (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is CCC/C=C\[C@@H]1CC[C@@H](C)[C@@H]2CCCN12.
What is the InChIKey of (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is CMRWNYARELDNAP-ZJOMEWFRSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h5,7,12-14H,3-4,6,8-11H2,1-2H3/b7-5-/t12-,13-,14+/m1/s1.
What are the key properties of (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 207.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 10703541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).