3-butyl-1-phenylindolizine

C18H19N — CID 122395253

IUPAC3-butyl-1-phenylindolizine
SMILESCCCCc1cc(-c2ccccc2)c2ccccn12
InChIInChI=1S/C18H19N/c1-2-3-11-16-14-17(15-9-5-4-6-10-15)18-12-7-8-13-19(16)18/h4-10,12-14H,2-3,11H2,1H3
InChIKeyGTALAXBEGQOEOL-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.95
Rot. Bonds4

About 3-butyl-1-phenylindolizine

3-butyl-1-phenylindolizine (PubChem CID 122395253) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-butyl-1-phenylindolizine.

Molecular Properties

Compound Name3-butyl-1-phenylindolizine
PubChem CID122395253
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name3-butyl-1-phenylindolizine
SMILESCCCCc1cc(-c2ccccc2)c2ccccn12
InChIInChI=1S/C18H19N/c1-2-3-11-16-14-17(15-9-5-4-6-10-15)18-12-7-8-13-19(16)18/h4-10,12-14H,2-3,11H2,1H3
InChIKeyGTALAXBEGQOEOL-UHFFFAOYSA-N
XLogP4.95
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hexyl-2-phenylindolizine
CID 118694319
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
1,1'-biphenyl;hexadecane
CID 173308514
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668
gold;1-pentyl-2-phenylbenzene
CID 174945702
pentane-1-thiol;3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174451877
2-octylazulene
CID 101406191
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-phenylindolizine?
The IUPAC name of 3-butyl-1-phenylindolizine (CID 122395253) is 3-butyl-1-phenylindolizine.
What is the SMILES notation for 3-butyl-1-phenylindolizine?
The canonical SMILES for 3-butyl-1-phenylindolizine is CCCCc1cc(-c2ccccc2)c2ccccn12.
What is the InChIKey of 3-butyl-1-phenylindolizine?
The InChIKey is GTALAXBEGQOEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-3-11-16-14-17(15-9-5-4-6-10-15)18-12-7-8-13-19(16)18/h4-10,12-14H,2-3,11H2,1H3.
What are the key properties of 3-butyl-1-phenylindolizine?
3-butyl-1-phenylindolizine has a molecular weight of 249.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-phenylindolizine is sourced from PubChem (CID 122395253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).