3-hexyl-2-phenylindolizine

C20H23N — CID 118694319

IUPAC3-hexyl-2-phenylindolizine
SMILESCCCCCCc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C20H23N/c1-2-3-4-8-14-20-19(17-11-6-5-7-12-17)16-18-13-9-10-15-21(18)20/h5-7,9-13,15-16H,2-4,8,14H2,1H3
InChIKeyGHBYJPOFKUPQAT-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.73
Rot. Bonds6

About 3-hexyl-2-phenylindolizine

3-hexyl-2-phenylindolizine (PubChem CID 118694319) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-hexyl-2-phenylindolizine.

Molecular Properties

Compound Name3-hexyl-2-phenylindolizine
PubChem CID118694319
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name3-hexyl-2-phenylindolizine
SMILESCCCCCCc1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C20H23N/c1-2-3-4-8-14-20-19(17-11-6-5-7-12-17)16-18-13-9-10-15-21(18)20/h5-7,9-13,15-16H,2-4,8,14H2,1H3
InChIKeyGHBYJPOFKUPQAT-UHFFFAOYSA-N
XLogP5.73
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 170871049
3-butyl-1-phenylindolizine
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CID 71665548
1,1'-biphenyl;hexadecane
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2-octylazulene
CID 101406191
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-[3,5-bis(2,3,4-trihexyl-5-phenylpyrrol-1-yl)phenyl]-2,3,4-trihexyl-5-phenylpyrrole
CID 58130483
gold;1-pentyl-2-phenylbenzene
CID 174945702
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668
pentane-1-thiol;3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174451877
1-pentadecyl-4-phenylbenzene
CID 57166115
7-hexyl-2-phenylpyrazolo[1,5-a]pyridine
CID 51031860

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-phenylindolizine?
The IUPAC name of 3-hexyl-2-phenylindolizine (CID 118694319) is 3-hexyl-2-phenylindolizine.
What is the SMILES notation for 3-hexyl-2-phenylindolizine?
The canonical SMILES for 3-hexyl-2-phenylindolizine is CCCCCCc1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 3-hexyl-2-phenylindolizine?
The InChIKey is GHBYJPOFKUPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-3-4-8-14-20-19(17-11-6-5-7-12-17)16-18-13-9-10-15-21(18)20/h5-7,9-13,15-16H,2-4,8,14H2,1H3.
What are the key properties of 3-hexyl-2-phenylindolizine?
3-hexyl-2-phenylindolizine has a molecular weight of 277.41 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-phenylindolizine is sourced from PubChem (CID 118694319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).