(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C18H31NO — CID 11277414

IUPAC(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCCCCCC/C=C/C[C@H]1CCC[C@@H]2CCC(=O)N21
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17-14-15-18(20)19(16)17/h8-9,16-17H,2-7,10-15H2,1H3/b9-8+/t16-,17+/m0/s1
InChIKeyJVZMILOBSOPNSB-IBHATUTGSA-N
MW277.45 g/mol
LogP4.84
Rot. Bonds8

About (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11277414) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID11277414
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCCCCCC/C=C/C[C@H]1CCC[C@@H]2CCC(=O)N21
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17-14-15-18(20)19(16)17/h8-9,16-17H,2-7,10-15H2,1H3/b9-8+/t16-,17+/m0/s1
InChIKeyJVZMILOBSOPNSB-IBHATUTGSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Launch Full Analysis

Related Compounds

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(3S)-1-(4-tert-butylphenyl)-3-[(E)-dodec-2-enyl]pyrrolidine-2,5-dione
CID 98105838
(E)-hexacos-10-ene
CID 22172169
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650

Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11277414) is (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CCCCCCC/C=C/C[C@H]1CCC[C@@H]2CCC(=O)N21.
What is the InChIKey of (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is JVZMILOBSOPNSB-IBHATUTGSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-17-14-15-18(20)19(16)17/h8-9,16-17H,2-7,10-15H2,1H3/b9-8+/t16-,17+/m0/s1.
What are the key properties of (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 277.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-5-[(E)-dec-2-enyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11277414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).