9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one

C15H23N3O — CID 11076232

IUPAC9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one
SMILESCCCCCCC12CCC(=O)N1CCc1[nH]cnc12
InChIInChI=1S/C15H23N3O/c1-2-3-4-5-8-15-9-6-13(19)18(15)10-7-12-14(15)17-11-16-12/h11H,2-10H2,1H3,(H,16,17)
InChIKeyUCGKNJMJNDPFKA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds5

About 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one

9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one (PubChem CID 11076232) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one.

Molecular Properties

Compound Name9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one
PubChem CID11076232
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one
SMILESCCCCCCC12CCC(=O)N1CCc1[nH]cnc12
InChIInChI=1S/C15H23N3O/c1-2-3-4-5-8-15-9-6-13(19)18(15)10-7-12-14(15)17-11-16-12/h11H,2-10H2,1H3,(H,16,17)
InChIKeyUCGKNJMJNDPFKA-UHFFFAOYSA-N
XLogP2.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one?
The IUPAC name of 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one (CID 11076232) is 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one.
What is the SMILES notation for 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one?
The canonical SMILES for 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one is CCCCCCC12CCC(=O)N1CCc1[nH]cnc12.
What is the InChIKey of 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one?
The InChIKey is UCGKNJMJNDPFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-4-5-8-15-9-6-13(19)18(15)10-7-12-14(15)17-11-16-12/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one?
9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one has a molecular weight of 261.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one is sourced from PubChem (CID 11076232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).